2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide

C9H12N4O2 — CID 141444837

IUPAC2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(NCC2COC2)n1
InChIInChI=1S/C9H12N4O2/c10-8(14)7-1-2-11-9(13-7)12-3-6-4-15-5-6/h1-2,6H,3-5H2,(H2,10,14)(H,11,12,13)
InChIKeyRLNRKVFCMFDNIK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.37
Rot. Bonds4

About 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide

2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 141444837) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID141444837
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(NCC2COC2)n1
InChIInChI=1S/C9H12N4O2/c10-8(14)7-1-2-11-9(13-7)12-3-6-4-15-5-6/h1-2,6H,3-5H2,(H2,10,14)(H,11,12,13)
InChIKeyRLNRKVFCMFDNIK-UHFFFAOYSA-N
XLogP-0.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylcyclohexyl)methylamino]pyrimidine-4-carbothioamide
CID 107547443
2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 107554558
2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553329
4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
CID 58495643
2-[[(2S,4R)-4-phenyloxolan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 166331126
2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide
CID 67767693
2-[(2-methylcyclopentyl)methylamino]pyrimidine-4-carbothioamide
CID 107548274
2-(thiolan-2-ylmethylamino)pyrimidine-4-carbothioamide
CID 107547797
1-[4-[[[4-[(E)-amino(3H-1,3-benzoxazol-2-ylidene)methyl]pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 71172084
2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide
CID 19013268
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)pyrimidine-4-carboxylic acid
CID 167965167

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide (CID 141444837) is 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide is NC(=O)c1ccnc(NCC2COC2)n1.
What is the InChIKey of 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is RLNRKVFCMFDNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8(14)7-1-2-11-9(13-7)12-3-6-4-15-5-6/h1-2,6H,3-5H2,(H2,10,14)(H,11,12,13).
What are the key properties of 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide?
2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 141444837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).