(2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol

C13H24N4O — CID 50962653

IUPAC(2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCc1nc(N(C)C)nc(NCC[C@@H](C)CO)c1C
InChIInChI=1S/C13H24N4O/c1-9(8-18)6-7-14-12-10(2)11(3)15-13(16-12)17(4)5/h9,18H,6-8H2,1-5H3,(H,14,15,16)/t9-/m1/s1
InChIKeyPHWODLPEDQAIPY-SECBINFHSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds6

About (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol

(2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol (PubChem CID 50962653) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol
PubChem CID50962653
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCc1nc(N(C)C)nc(NCC[C@@H](C)CO)c1C
InChIInChI=1S/C13H24N4O/c1-9(8-18)6-7-14-12-10(2)11(3)15-13(16-12)17(4)5/h9,18H,6-8H2,1-5H3,(H,14,15,16)/t9-/m1/s1
InChIKeyPHWODLPEDQAIPY-SECBINFHSA-N
XLogP1.59
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol (CID 50962653) is (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol is Cc1nc(N(C)C)nc(NCC[C@@H](C)CO)c1C.
What is the InChIKey of (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The InChIKey is PHWODLPEDQAIPY-SECBINFHSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(8-18)6-7-14-12-10(2)11(3)15-13(16-12)17(4)5/h9,18H,6-8H2,1-5H3,(H,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol?
(2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 50962653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).