4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine

C15H18N8 — CID 59757996

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cnc[nH]2)n1
InChIInChI=1S/C15H18N8/c1-9-4-13(20-14-5-12(22-23-14)10-2-3-10)21-15(19-9)17-7-11-6-16-8-18-11/h4-6,8,10H,2-3,7H2,1H3,(H,16,18)(H3,17,19,20,21,22,23)
InChIKeyPVMKMXXIYCRAKB-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.46
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 59757996) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID59757996
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cnc[nH]2)n1
InChIInChI=1S/C15H18N8/c1-9-4-13(20-14-5-12(22-23-14)10-2-3-10)21-15(19-9)17-7-11-6-16-8-18-11/h4-6,8,10H,2-3,7H2,1H3,(H,16,18)(H3,17,19,20,21,22,23)
InChIKeyPVMKMXXIYCRAKB-UHFFFAOYSA-N
XLogP2.46
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine (CID 59757996) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cnc[nH]2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is PVMKMXXIYCRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-9-4-13(20-14-5-12(22-23-14)10-2-3-10)21-15(19-9)17-7-11-6-16-8-18-11/h4-6,8,10H,2-3,7H2,1H3,(H,16,18)(H3,17,19,20,21,22,23).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 310.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 59757996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).