(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol

C13H24N4O — CID 164643079

IUPAC(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)N(C)c1ccnc(N(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)8-11(9-18)17(5)12-6-7-14-13(15-12)16(3)4/h6-7,10-11,18H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyLKUXVDHYVSYRHC-NSHDSACASA-N
MW252.36 g/mol
LogP1.39
Rot. Bonds6

About (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol

(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol (PubChem CID 164643079) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol
PubChem CID164643079
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)N(C)c1ccnc(N(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)8-11(9-18)17(5)12-6-7-14-13(15-12)16(3)4/h6-7,10-11,18H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyLKUXVDHYVSYRHC-NSHDSACASA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol with MolForge

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Related Compounds

(1-(((2-Amino-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol
CID 385194
[1-(Pyrimidin-4-yl)piperidin-2-yl]methanol
CID 61254152
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
[(3R*,4R*)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70706860
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 75423627
Ethanol, 2-[(2-chloro-4-pyrimidinyl)methylamino]-
CID 62343857
2-[{[(3R*,4R*)-1-(4-amino-2-pyrimidinyl)-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(ethyl)amino]ethanol
CID 72934826
(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
Pyrimidine, 2-chloro-4-(bis-2-hydroxyethyl)amino-
CID 13340662
(1-(Pyrimidin-2-yl)piperidin-3-yl)methanol
CID 6456539
trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 50961909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol (CID 164643079) is (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol is CC(C)C[C@@H](CO)N(C)c1ccnc(N(C)C)n1.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol?
The InChIKey is LKUXVDHYVSYRHC-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)8-11(9-18)17(5)12-6-7-14-13(15-12)16(3)4/h6-7,10-11,18H,8-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol?
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 164643079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).