1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol

C15H27N5O — CID 56778041

IUPAC1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1cc(N(C)CC2CCN(CC(C)O)CC2)nc(N)n1
InChIInChI=1S/C15H27N5O/c1-11-8-14(18-15(16)17-11)19(3)10-13-4-6-20(7-5-13)9-12(2)21/h8,12-13,21H,4-7,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyOJPYMZCAZXVXCB-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.90
Rot. Bonds5

About 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol

1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 56778041) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID56778041
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1cc(N(C)CC2CCN(CC(C)O)CC2)nc(N)n1
InChIInChI=1S/C15H27N5O/c1-11-8-14(18-15(16)17-11)19(3)10-13-4-6-20(7-5-13)9-12(2)21/h8,12-13,21H,4-7,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyOJPYMZCAZXVXCB-UHFFFAOYSA-N
XLogP0.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 56778041) is 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol is Cc1cc(N(C)CC2CCN(CC(C)O)CC2)nc(N)n1.
What is the InChIKey of 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is OJPYMZCAZXVXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-8-14(18-15(16)17-11)19(3)10-13-4-6-20(7-5-13)9-12(2)21/h8,12-13,21H,4-7,9-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 293.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 56778041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).