4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine

C24H37N9O — CID 11641301

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCN(CC)CCCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C(C)C)no2)n1
InChIInChI=1S/C24H37N9O/c1-5-33(6-2)11-7-10-25-21-14-22(27-23-13-20(30-31-23)17-8-9-17)29-24(28-21)26-15-18-12-19(16(3)4)32-34-18/h12-14,16-17H,5-11,15H2,1-4H3,(H4,25,26,27,28,29,30,31)
InChIKeyIDVUHZAXJOXYNK-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.69
Rot. Bonds14

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 11641301) has the molecular formula C24H37N9O and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID11641301
Molecular FormulaC24H37N9O
Molecular Weight467.62 g/mol
Exact Mass467.31
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCN(CC)CCCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C(C)C)no2)n1
InChIInChI=1S/C24H37N9O/c1-5-33(6-2)11-7-10-25-21-14-22(27-23-13-20(30-31-23)17-8-9-17)29-24(28-21)26-15-18-12-19(16(3)4)32-34-18/h12-14,16-17H,5-11,15H2,1-4H3,(H4,25,26,27,28,29,30,31)
InChIKeyIDVUHZAXJOXYNK-UHFFFAOYSA-N
XLogP4.69
TPSA119.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine (CID 11641301) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine is CCN(CC)CCCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C(C)C)no2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is IDVUHZAXJOXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N9O/c1-5-33(6-2)11-7-10-25-21-14-22(27-23-13-20(30-31-23)17-8-9-17)29-24(28-21)26-15-18-12-19(16(3)4)32-34-18/h12-14,16-17H,5-11,15H2,1-4H3,(H4,25,26,27,28,29,30,31).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 467.62 g/mol, XLogP of 4.69, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 11641301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).