N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine

C19H27N5O — CID 56896410

IUPACN-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCOCc1ncc(CN(Cc2cccnc2)C2CCN(C)CC2)cn1
InChIInChI=1S/C19H27N5O/c1-23-8-5-18(6-9-23)24(13-16-4-3-7-20-10-16)14-17-11-21-19(15-25-2)22-12-17/h3-4,7,10-12,18H,5-6,8-9,13-15H2,1-2H3
InChIKeyFSWNAJRXYZHEIA-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.11
Rot. Bonds7

About N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine

N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 56896410) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID56896410
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCOCc1ncc(CN(Cc2cccnc2)C2CCN(C)CC2)cn1
InChIInChI=1S/C19H27N5O/c1-23-8-5-18(6-9-23)24(13-16-4-3-7-20-10-16)14-17-11-21-19(15-25-2)22-12-17/h3-4,7,10-12,18H,5-6,8-9,13-15H2,1-2H3
InChIKeyFSWNAJRXYZHEIA-UHFFFAOYSA-N
XLogP2.11
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 56896410) is N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine is COCc1ncc(CN(Cc2cccnc2)C2CCN(C)CC2)cn1.
What is the InChIKey of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is FSWNAJRXYZHEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23-8-5-18(6-9-23)24(13-16-4-3-7-20-10-16)14-17-11-21-19(15-25-2)22-12-17/h3-4,7,10-12,18H,5-6,8-9,13-15H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56896410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).