2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide

C14H25N5O — CID 80961506

IUPAC2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCNc1cc(N(C)CC(=O)NC(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-9(2)14-17-11(15-5)7-12(18-14)19(6)8-13(20)16-10(3)4/h7,9-10H,8H2,1-6H3,(H,16,20)(H,15,17,18)
InChIKeyBMXCKPZFHRNMHN-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.60
Rot. Bonds6

About 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide

2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide (PubChem CID 80961506) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
PubChem CID80961506
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCNc1cc(N(C)CC(=O)NC(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-9(2)14-17-11(15-5)7-12(18-14)19(6)8-13(20)16-10(3)4/h7,9-10H,8H2,1-6H3,(H,16,20)(H,15,17,18)
InChIKeyBMXCKPZFHRNMHN-UHFFFAOYSA-N
XLogP1.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80964094
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80993955
2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 71849240
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918578
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
N-cyclopropyl-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80960767
4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80961827
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide (CID 80961506) is 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide is CNc1cc(N(C)CC(=O)NC(C)C)nc(C(C)C)n1.
What is the InChIKey of 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is BMXCKPZFHRNMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9(2)14-17-11(15-5)7-12(18-14)19(6)8-13(20)16-10(3)4/h7,9-10H,8H2,1-6H3,(H,16,20)(H,15,17,18).
What are the key properties of 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80961506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).