N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

C18H26N6O3 — CID 19141681

IUPACN-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOCCN(CCOC)c1ncnc(Nc2ccc(NC(C)=O)cc2)c1N
InChIInChI=1S/C18H26N6O3/c1-13(25)22-14-4-6-15(7-5-14)23-17-16(19)18(21-12-20-17)24(8-10-26-2)9-11-27-3/h4-7,12H,8-11,19H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyFCPFYBWAESXEMK-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.86
Rot. Bonds10

About N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 19141681) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID19141681
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOCCN(CCOC)c1ncnc(Nc2ccc(NC(C)=O)cc2)c1N
InChIInChI=1S/C18H26N6O3/c1-13(25)22-14-4-6-15(7-5-14)23-17-16(19)18(21-12-20-17)24(8-10-26-2)9-11-27-3/h4-7,12H,8-11,19H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyFCPFYBWAESXEMK-UHFFFAOYSA-N
XLogP1.86
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[6-[bis(2-methoxyethyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 23493727
N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19144248
6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141696
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141579
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
4-N,4-N-dibenzyl-6-N-[4-(2-methoxyethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 141395582
N-[4-[[5-amino-6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 22546092
6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141697
6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135778
6-N-(4-chlorophenyl)-4-N,4-N-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine
CID 23493662
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 19141681) is N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is COCCN(CCOC)c1ncnc(Nc2ccc(NC(C)=O)cc2)c1N.
What is the InChIKey of N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is FCPFYBWAESXEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-13(25)22-14-4-6-15(7-5-14)23-17-16(19)18(21-12-20-17)24(8-10-26-2)9-11-27-3/h4-7,12H,8-11,19H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 1.86, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 19141681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).