4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C24H27ClN6O3 — CID 25271515

IUPAC4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESNc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H27ClN6O3/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)30-23-21(22(26)28-16-29-23)24(32)27-8-9-31-10-12-33-13-11-31/h1-7,14,16H,8-13,15H2,(H,27,32)(H3,26,28,29,30)
InChIKeyOUKDWNYVCNEMPJ-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.10
Rot. Bonds9

About 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 25271515) has the molecular formula C24H27ClN6O3 and a molecular weight of 482.97 g/mol. Its IUPAC name is 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID25271515
Molecular FormulaC24H27ClN6O3
Molecular Weight482.97 g/mol
Exact Mass482.18
IUPAC Name4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESNc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H27ClN6O3/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)30-23-21(22(26)28-16-29-23)24(32)27-8-9-31-10-12-33-13-11-31/h1-7,14,16H,8-13,15H2,(H,27,32)(H3,26,28,29,30)
InChIKeyOUKDWNYVCNEMPJ-UHFFFAOYSA-N
XLogP3.10
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N'-(3-morpholin-4-ylpropanoyl)pyrimidine-5-carbohydrazide
CID 44562431
4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 162624249
methyl 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylate
CID 25242463
4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carbaldehyde;4-N-(3-chloro-4-phenylmethoxyphenyl)-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidine-4,6-diamine;O-(2-morpholin-4-ylethyl)hydroxylamine;trihydrochloride
CID 172953233
4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carbaldehyde;4-N-(3-chloro-4-phenylmethoxyphenyl)-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidine-4,6-diamine;methane;O-(2-morpholin-4-ylethyl)hydroxylamine;trihydrochloride
CID 172964965
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 11663970
4-N-[3-chloro-4-[(3,5-difluorophenyl)methoxy]phenyl]-5-(2-morpholin-4-ylethoxyiminomethyl)pyrimidine-4,6-diamine
CID 73407115
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159776
1-[[6-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]-2-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)urea
CID 11570823
1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 143748526
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 58885848
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3-[(2-morpholin-4-ylacetyl)amino]propanamide
CID 11657235

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 25271515) is 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is OUKDWNYVCNEMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)30-23-21(22(26)28-16-29-23)24(32)27-8-9-31-10-12-33-13-11-31/h1-7,14,16H,8-13,15H2,(H,27,32)(H3,26,28,29,30).
What are the key properties of 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 25271515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).