2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

C13H21N5O — CID 80961509

IUPAC2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-8(2)6-18(7-11(15)19)12-5-10(14)16-13(17-12)9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,19)(H2,14,16,17)
InChIKeyZXHUMJMUQSAVPA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.88
Rot. Bonds6

About 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 80961509) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
PubChem CID80961509
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-8(2)6-18(7-11(15)19)12-5-10(14)16-13(17-12)9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,19)(H2,14,16,17)
InChIKeyZXHUMJMUQSAVPA-UHFFFAOYSA-N
XLogP0.88
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80962125
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80821516
2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80959517
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820634
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967075
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 80954139
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 102720618

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (CID 80961509) is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is ZXHUMJMUQSAVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8(2)6-18(7-11(15)19)12-5-10(14)16-13(17-12)9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,19)(H2,14,16,17).
What are the key properties of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 80961509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).