(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol

C15H27N5O — CID 95353403

IUPAC(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCc1cc(N2CCN(C[C@H](O)C(C)(C)C)CC2)nc(N)n1
InChIInChI=1S/C15H27N5O/c1-11-9-13(18-14(16)17-11)20-7-5-19(6-8-20)10-12(21)15(2,3)4/h9,12,21H,5-8,10H2,1-4H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyHCUXLESADQBQQD-LBPRGKRZSA-N
MW293.41 g/mol
LogP0.90
Rot. Bonds3

About (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol

(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 95353403) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID95353403
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCc1cc(N2CCN(C[C@H](O)C(C)(C)C)CC2)nc(N)n1
InChIInChI=1S/C15H27N5O/c1-11-9-13(18-14(16)17-11)20-7-5-19(6-8-20)10-12(21)15(2,3)4/h9,12,21H,5-8,10H2,1-4H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyHCUXLESADQBQQD-LBPRGKRZSA-N
XLogP0.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol (CID 95353403) is (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol is Cc1cc(N2CCN(C[C@H](O)C(C)(C)C)CC2)nc(N)n1.
What is the InChIKey of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is HCUXLESADQBQQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-9-13(18-14(16)17-11)20-7-5-19(6-8-20)10-12(21)15(2,3)4/h9,12,21H,5-8,10H2,1-4H3,(H2,16,17,18)/t12-/m0/s1.
What are the key properties of (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 95353403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).