2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide

C10H14N4O2 — CID 144793779

IUPAC2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide
SMILESCc1ncc(NC2CCOC2)c(C(N)=O)n1
InChIInChI=1S/C10H14N4O2/c1-6-12-4-8(9(13-6)10(11)15)14-7-2-3-16-5-7/h4,7,14H,2-3,5H2,1H3,(H2,11,15)
InChIKeyYNFJXWFXAPTWFG-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.08
Rot. Bonds3

About 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide

2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide (PubChem CID 144793779) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide
PubChem CID144793779
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide
SMILESCc1ncc(NC2CCOC2)c(C(N)=O)n1
InChIInChI=1S/C10H14N4O2/c1-6-12-4-8(9(13-6)10(11)15)14-7-2-3-16-5-7/h4,7,14H,2-3,5H2,1H3,(H2,11,15)
InChIKeyYNFJXWFXAPTWFG-UHFFFAOYSA-N
XLogP0.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 55043673
5-(methylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62171561
5-(ethylamino)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62171737
2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62171738
5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
CID 63227662
5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
CID 63228071
5-(ethylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
CID 63228114
5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide
CID 63832909
N-[2-(2,2-difluoroethoxy)ethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 105920730
5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 105923841
N-[2-(2,2-difluoroethoxy)ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 105923956
5-amino-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidine-4-carboxamide
CID 105942874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide (CID 144793779) is 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide is Cc1ncc(NC2CCOC2)c(C(N)=O)n1.
What is the InChIKey of 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide?
The InChIKey is YNFJXWFXAPTWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-12-4-8(9(13-6)10(11)15)14-7-2-3-16-5-7/h4,7,14H,2-3,5H2,1H3,(H2,11,15).
What are the key properties of 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide?
2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide has a molecular weight of 222.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-3-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 144793779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).