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

C22H26N10OS — CID 59757948

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(NCc3cc(-c4nccs4)no3)n2)CC1
InChIInChI=1S/C22H26N10OS/c1-31-5-7-32(8-6-31)20-12-18(25-19-11-16(28-29-19)14-2-3-14)26-22(27-20)24-13-15-10-17(30-33-15)21-23-4-9-34-21/h4,9-12,14H,2-3,5-8,13H2,1H3,(H3,24,25,26,27,28,29)
InChIKeySJLMKASXSKYPSG-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.30
Rot. Bonds8

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 59757948) has the molecular formula C22H26N10OS and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
PubChem CID59757948
Molecular FormulaC22H26N10OS
Molecular Weight478.59 g/mol
Exact Mass478.20
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(NCc3cc(-c4nccs4)no3)n2)CC1
InChIInChI=1S/C22H26N10OS/c1-31-5-7-32(8-6-31)20-12-18(25-19-11-16(28-29-19)14-2-3-14)26-22(27-20)24-13-15-10-17(30-33-15)21-23-4-9-34-21/h4,9-12,14H,2-3,5-8,13H2,1H3,(H3,24,25,26,27,28,29)
InChIKeySJLMKASXSKYPSG-UHFFFAOYSA-N
XLogP3.30
TPSA123.92 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine (CID 59757948) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine is CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(NCc3cc(-c4nccs4)no3)n2)CC1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is SJLMKASXSKYPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10OS/c1-31-5-7-32(8-6-31)20-12-18(25-19-11-16(28-29-19)14-2-3-14)26-22(27-20)24-13-15-10-17(30-33-15)21-23-4-9-34-21/h4,9-12,14H,2-3,5-8,13H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 478.59 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).