N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine

C18H25N5O — CID 163343998

IUPACN,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnccc1OCC1CCN(c2cc(N(C)C)ncn2)CC1
InChIInChI=1S/C18H25N5O/c1-14-11-19-7-4-16(14)24-12-15-5-8-23(9-6-15)18-10-17(22(2)3)20-13-21-18/h4,7,10-11,13,15H,5-6,8-9,12H2,1-3H3
InChIKeyWNFPZELQDIRTHS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.54
Rot. Bonds5

About N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine

N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 163343998) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID163343998
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnccc1OCC1CCN(c2cc(N(C)C)ncn2)CC1
InChIInChI=1S/C18H25N5O/c1-14-11-19-7-4-16(14)24-12-15-5-8-23(9-6-15)18-10-17(22(2)3)20-13-21-18/h4,7,10-11,13,15H,5-6,8-9,12H2,1-3H3
InChIKeyWNFPZELQDIRTHS-UHFFFAOYSA-N
XLogP2.54
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine (CID 163343998) is N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine is Cc1cnccc1OCC1CCN(c2cc(N(C)C)ncn2)CC1.
What is the InChIKey of N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is WNFPZELQDIRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-11-19-7-4-16(14)24-12-15-5-8-23(9-6-15)18-10-17(22(2)3)20-13-21-18/h4,7,10-11,13,15H,5-6,8-9,12H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 163343998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).