[(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol

C15H27N5O2 — CID 171358905

IUPAC[(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCC(C)Oc1cc(NCCN2CCC[C@H](CO)C2)nc(N)n1
InChIInChI=1S/C15H27N5O2/c1-11(2)22-14-8-13(18-15(16)19-14)17-5-7-20-6-3-4-12(9-20)10-21/h8,11-12,21H,3-7,9-10H2,1-2H3,(H3,16,17,18,19)/t12-/m0/s1
InChIKeyBMNDIDXFFNGNEM-LBPRGKRZSA-N
MW309.41 g/mol
LogP0.96
Rot. Bonds7

About [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol (PubChem CID 171358905) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
PubChem CID171358905
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name[(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCC(C)Oc1cc(NCCN2CCC[C@H](CO)C2)nc(N)n1
InChIInChI=1S/C15H27N5O2/c1-11(2)22-14-8-13(18-15(16)19-14)17-5-7-20-6-3-4-12(9-20)10-21/h8,11-12,21H,3-7,9-10H2,1-2H3,(H3,16,17,18,19)/t12-/m0/s1
InChIKeyBMNDIDXFFNGNEM-LBPRGKRZSA-N
XLogP0.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol (CID 171358905) is [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol is CC(C)Oc1cc(NCCN2CCC[C@H](CO)C2)nc(N)n1.
What is the InChIKey of [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is BMNDIDXFFNGNEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(2)22-14-8-13(18-15(16)19-14)17-5-7-20-6-3-4-12(9-20)10-21/h8,11-12,21H,3-7,9-10H2,1-2H3,(H3,16,17,18,19)/t12-/m0/s1.
What are the key properties of [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 309.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 171358905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).