2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

C11H19N5O2 — CID 113405779

IUPAC2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCOc1c(N)ncnc1NCC(=O)NCC(C)C
InChIInChI=1S/C11H19N5O2/c1-7(2)4-13-8(17)5-14-11-9(18-3)10(12)15-6-16-11/h6-7H,4-5H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyDREDHBUZNXEXIN-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.25
Rot. Bonds6

About 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 113405779) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID113405779
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCOc1c(N)ncnc1NCC(=O)NCC(C)C
InChIInChI=1S/C11H19N5O2/c1-7(2)4-13-8(17)5-14-11-9(18-3)10(12)15-6-16-11/h6-7H,4-5H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyDREDHBUZNXEXIN-UHFFFAOYSA-N
XLogP0.25
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 49226606
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea
CID 83118452
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133405
2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115714881
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405780
2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 114072700
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793356
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405792
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179516
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
CID 102759622

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (CID 113405779) is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is COc1c(N)ncnc1NCC(=O)NCC(C)C.
What is the InChIKey of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is DREDHBUZNXEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7(2)4-13-8(17)5-14-11-9(18-3)10(12)15-6-16-11/h6-7H,4-5H2,1-3H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113405779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).