(6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol

C14H25N3O — CID 97141717

IUPAC(6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol
SMILESCc1ncnc(N[C@@H](C)CCCC(C)(C)O)c1C
InChIInChI=1S/C14H25N3O/c1-10(7-6-8-14(4,5)18)17-13-11(2)12(3)15-9-16-13/h9-10,18H,6-8H2,1-5H3,(H,15,16,17)/t10-/m0/s1
InChIKeyFUQLUFHRYLFNOQ-JTQLQIEISA-N
MW251.37 g/mol
LogP2.84
Rot. Bonds6

About (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol

(6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol (PubChem CID 97141717) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol
PubChem CID97141717
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol
SMILESCc1ncnc(N[C@@H](C)CCCC(C)(C)O)c1C
InChIInChI=1S/C14H25N3O/c1-10(7-6-8-14(4,5)18)17-13-11(2)12(3)15-9-16-13/h9-10,18H,6-8H2,1-5H3,(H,15,16,17)/t10-/m0/s1
InChIKeyFUQLUFHRYLFNOQ-JTQLQIEISA-N
XLogP2.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol?
The IUPAC name of (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol (CID 97141717) is (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol.
What is the SMILES notation for (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol?
The canonical SMILES for (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol is Cc1ncnc(N[C@@H](C)CCCC(C)(C)O)c1C.
What is the InChIKey of (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol?
The InChIKey is FUQLUFHRYLFNOQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(7-6-8-14(4,5)18)17-13-11(2)12(3)15-9-16-13/h9-10,18H,6-8H2,1-5H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol?
(6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol is sourced from PubChem (CID 97141717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).