5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine

C23H29N7O2 — CID 69091677

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)ncc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C23H29N7O2/c24-22-19(21-14-20(28-29-21)16-2-3-16)15-25-23(27-22)26-17-4-6-18(7-5-17)32-11-1-8-30-9-12-31-13-10-30/h4-7,14-16H,1-3,8-13H2,(H,28,29)(H3,24,25,26,27)
InChIKeySRRJWWRVXKPLPD-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.17
Rot. Bonds9

About 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 69091677) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID69091677
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)ncc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C23H29N7O2/c24-22-19(21-14-20(28-29-21)16-2-3-16)15-25-23(27-22)26-17-4-6-18(7-5-17)32-11-1-8-30-9-12-31-13-10-30/h4-7,14-16H,1-3,8-13H2,(H,28,29)(H3,24,25,26,27)
InChIKeySRRJWWRVXKPLPD-UHFFFAOYSA-N
XLogP3.17
TPSA114.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 71272739
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 67363362
3-N-[3,5-dichloro-4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632524
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
CID 174464455
5-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 67161025
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
ethyl 4-[4-(3-morpholin-4-ylpropoxy)anilino]-6-(trifluoromethyl)quinoline-3-carboxylate
CID 122193391
5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 22326855
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine (CID 69091677) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)ncc1-c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is SRRJWWRVXKPLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c24-22-19(21-14-20(28-29-21)16-2-3-16)15-25-23(27-22)26-17-4-6-18(7-5-17)32-11-1-8-30-9-12-31-13-10-30/h4-7,14-16H,1-3,8-13H2,(H,28,29)(H3,24,25,26,27).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 435.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69091677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).