2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide

C14H25N5O — CID 80821267

IUPAC2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1ncnc(N(CC(N)=O)CC(C)C)c1C(C)C
InChIInChI=1S/C14H25N5O/c1-9(2)6-19(7-11(15)20)14-12(10(3)4)13(16-5)17-8-18-14/h8-10H,6-7H2,1-5H3,(H2,15,20)(H,16,17,18)
InChIKeyAXUPXYBLMHWSBL-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.59
Rot. Bonds7

About 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide

2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide (PubChem CID 80821267) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
PubChem CID80821267
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1ncnc(N(CC(N)=O)CC(C)C)c1C(C)C
InChIInChI=1S/C14H25N5O/c1-9(2)6-19(7-11(15)20)14-12(10(3)4)13(16-5)17-8-18-14/h8-10H,6-7H2,1-5H3,(H2,15,20)(H,16,17,18)
InChIKeyAXUPXYBLMHWSBL-UHFFFAOYSA-N
XLogP1.59
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80902095
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820561
6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837463
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
N'-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901295
N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 106918543
2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]acetamide
CID 80820321
2-[cyclopentyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80900043

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide (CID 80821267) is 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide is CNc1ncnc(N(CC(N)=O)CC(C)C)c1C(C)C.
What is the InChIKey of 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The InChIKey is AXUPXYBLMHWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9(2)6-19(7-11(15)20)14-12(10(3)4)13(16-5)17-8-18-14/h8-10H,6-7H2,1-5H3,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 80821267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).