2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide

C8H13N5O — CID 80788207

IUPAC2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N)cc(NC(C)C(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-4(8(10)14)11-7-3-6(9)12-5(2)13-7/h3-4H,1-2H3,(H2,10,14)(H3,9,11,12,13)
InChIKeyHPHGUVRVVNZAIB-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.35
Rot. Bonds3

About 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide

2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 80788207) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
PubChem CID80788207
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N)cc(NC(C)C(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-4(8(10)14)11-7-3-6(9)12-5(2)13-7/h3-4H,1-2H3,(H2,10,14)(H3,9,11,12,13)
InChIKeyHPHGUVRVVNZAIB-UHFFFAOYSA-N
XLogP-0.35
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}ethyl)propanamide
CID 45497025
N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
CID 71974232
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)acetamide
CID 45497026
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 50946039
N-(tert-butyl)-2-{[4-(ethylamino)pyrimidin-2-yl]amino}acetamide
CID 50959033
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)-2-methylpropan-1-one
CID 56699070
(6R)-6-methyl-4-[4-(methylamino)pyrimidin-2-yl]piperazin-2-one
CID 132416746
2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87774717
(2S)-2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869858
N-[6-fluoro-2-(methylamino)pyrimidin-4-yl]acetamide
CID 89881788
(2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide
CID 142908251
(2R)-1-(azetidin-1-yl)-2-[[6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]propan-1-one
CID 178126475

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide (CID 80788207) is 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide is Cc1nc(N)cc(NC(C)C(N)=O)n1.
What is the InChIKey of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is HPHGUVRVVNZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-4(8(10)14)11-7-3-6(9)12-5(2)13-7/h3-4H,1-2H3,(H2,10,14)(H3,9,11,12,13).
What are the key properties of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 195.23 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 80788207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).