N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide

C14H18N6O2 — CID 118552783

IUPACN-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccnc(N)n2)CC2COC2)n[nH]1
InChIInChI=1S/C14H18N6O2/c1-9-4-12(19-18-9)13(21)20(5-10-7-22-8-10)6-11-2-3-16-14(15)17-11/h2-4,10H,5-8H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyJNSLDADNJORPFM-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.38
Rot. Bonds5

About N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide

N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 118552783) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID118552783
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccnc(N)n2)CC2COC2)n[nH]1
InChIInChI=1S/C14H18N6O2/c1-9-4-12(19-18-9)13(21)20(5-10-7-22-8-10)6-11-2-3-16-14(15)17-11/h2-4,10H,5-8H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyJNSLDADNJORPFM-UHFFFAOYSA-N
XLogP0.38
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 118552783) is N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccnc(N)n2)CC2COC2)n[nH]1.
What is the InChIKey of N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JNSLDADNJORPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-4-12(19-18-9)13(21)20(5-10-7-22-8-10)6-11-2-3-16-14(15)17-11/h2-4,10H,5-8H2,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminopyrimidin-4-yl)methyl]-5-methyl-N-(oxetan-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118552783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).