(3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

C18H25N5O — CID 164632315

IUPAC(3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1cc(C)nc(CN(C)c2nccc(N3CCC[C@H](O)C3)n2)c1
InChIInChI=1S/C18H25N5O/c1-13-9-14(2)20-15(10-13)11-22(3)18-19-7-6-17(21-18)23-8-4-5-16(24)12-23/h6-7,9-10,16,24H,4-5,8,11-12H2,1-3H3/t16-/m0/s1
InChIKeySRHCZCZPKMWRHD-INIZCTEOSA-N
MW327.43 g/mol
LogP2.09
Rot. Bonds4

About (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

(3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 164632315) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID164632315
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1cc(C)nc(CN(C)c2nccc(N3CCC[C@H](O)C3)n2)c1
InChIInChI=1S/C18H25N5O/c1-13-9-14(2)20-15(10-13)11-22(3)18-19-7-6-17(21-18)23-8-4-5-16(24)12-23/h6-7,9-10,16,24H,4-5,8,11-12H2,1-3H3/t16-/m0/s1
InChIKeySRHCZCZPKMWRHD-INIZCTEOSA-N
XLogP2.09
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 164632315) is (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is Cc1cc(C)nc(CN(C)c2nccc(N3CCC[C@H](O)C3)n2)c1.
What is the InChIKey of (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is SRHCZCZPKMWRHD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-9-14(2)20-15(10-13)11-22(3)18-19-7-6-17(21-18)23-8-4-5-16(24)12-23/h6-7,9-10,16,24H,4-5,8,11-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
(3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 327.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 164632315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).