(2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide

C13H23N5O — CID 50978713

IUPAC(2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide
SMILESCc1cnc(N[C@@H](CC(C)C)C(N)=O)nc1N(C)C
InChIInChI=1S/C13H23N5O/c1-8(2)6-10(11(14)19)16-13-15-7-9(3)12(17-13)18(4)5/h7-8,10H,6H2,1-5H3,(H2,14,19)(H,15,16,17)/t10-/m0/s1
InChIKeyKKXOPDPLQJGTPJ-JTQLQIEISA-N
MW265.36 g/mol
LogP1.16
Rot. Bonds6

About (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide

(2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide (PubChem CID 50978713) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide
PubChem CID50978713
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide
SMILESCc1cnc(N[C@@H](CC(C)C)C(N)=O)nc1N(C)C
InChIInChI=1S/C13H23N5O/c1-8(2)6-10(11(14)19)16-13-15-7-9(3)12(17-13)18(4)5/h7-8,10H,6H2,1-5H3,(H2,14,19)(H,15,16,17)/t10-/m0/s1
InChIKeyKKXOPDPLQJGTPJ-JTQLQIEISA-N
XLogP1.16
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide (CID 50978713) is (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide is Cc1cnc(N[C@@H](CC(C)C)C(N)=O)nc1N(C)C.
What is the InChIKey of (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide?
The InChIKey is KKXOPDPLQJGTPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(2)6-10(11(14)19)16-13-15-7-9(3)12(17-13)18(4)5/h7-8,10H,6H2,1-5H3,(H2,14,19)(H,15,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide?
(2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide has a molecular weight of 265.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 50978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).