N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide

C13H22N4O — CID 124751056

IUPACN-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide
SMILESCC(C)CNC(=O)CN(C)[C@H](C)c1ccncn1
InChIInChI=1S/C13H22N4O/c1-10(2)7-15-13(18)8-17(4)11(3)12-5-6-14-9-16-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,18)/t11-/m1/s1
InChIKeyFSHOALSFBJQRPC-LLVKDONJSA-N
MW250.35 g/mol
LogP1.24
Rot. Bonds6

About N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide

N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide (PubChem CID 124751056) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide
PubChem CID124751056
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide
SMILESCC(C)CNC(=O)CN(C)[C@H](C)c1ccncn1
InChIInChI=1S/C13H22N4O/c1-10(2)7-15-13(18)8-17(4)11(3)12-5-6-14-9-16-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,18)/t11-/m1/s1
InChIKeyFSHOALSFBJQRPC-LLVKDONJSA-N
XLogP1.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide (CID 124751056) is N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide is CC(C)CNC(=O)CN(C)[C@H](C)c1ccncn1.
What is the InChIKey of N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide?
The InChIKey is FSHOALSFBJQRPC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)7-15-13(18)8-17(4)11(3)12-5-6-14-9-16-12/h5-6,9-11H,7-8H2,1-4H3,(H,15,18)/t11-/m1/s1.
What are the key properties of N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide?
N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 124751056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).