4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine

C23H25N7O2 — CID 11539260

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine
SMILESCCCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C23H25N7O2/c1-2-10-31-22-13-20(25-21-12-18(28-29-21)16-8-9-16)26-23(27-22)24-14-17-11-19(30-32-17)15-6-4-3-5-7-15/h3-7,11-13,16H,2,8-10,14H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyUOHZJRLJULIXRK-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.88
Rot. Bonds10

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine (PubChem CID 11539260) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine
PubChem CID11539260
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine
SMILESCCCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C23H25N7O2/c1-2-10-31-22-13-20(25-21-12-18(28-29-21)16-8-9-16)26-23(27-22)24-14-17-11-19(30-32-17)15-6-4-3-5-7-15/h3-7,11-13,16H,2,8-10,14H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyUOHZJRLJULIXRK-UHFFFAOYSA-N
XLogP4.88
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine (CID 11539260) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine is CCCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine?
The InChIKey is UOHZJRLJULIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-2-10-31-22-13-20(25-21-12-18(28-29-21)16-8-9-16)26-23(27-22)24-14-17-11-19(30-32-17)15-6-4-3-5-7-15/h3-7,11-13,16H,2,8-10,14H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine has a molecular weight of 431.50 g/mol, XLogP of 4.88, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine is sourced from PubChem (CID 11539260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).