4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide

C10H17N5O — CID 118796829

IUPAC4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)CNc1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15)
InChIKeyPYEPYUBHFUICHO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.62
Rot. Bonds3

About 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide

4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide (PubChem CID 118796829) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide
PubChem CID118796829
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)CNc1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15)
InChIKeyPYEPYUBHFUICHO-UHFFFAOYSA-N
XLogP0.62
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide (CID 118796829) is 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide is CC(C)(C)CNc1ncc(C(N)=O)c(N)n1.
What is the InChIKey of 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide?
The InChIKey is PYEPYUBHFUICHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15).
What are the key properties of 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide?
4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 118796829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).