[1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol

C19H26N4O3 — CID 56758329

IUPAC[1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(c3cc(OC)nc(N)n3)CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-25-15-5-3-14(4-6-15)12-19(13-24)7-9-23(10-8-19)16-11-17(26-2)22-18(20)21-16/h3-6,11,24H,7-10,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyNXMMQWXJDSJGTM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.90
Rot. Bonds6

About [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol

[1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 56758329) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
PubChem CID56758329
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(c3cc(OC)nc(N)n3)CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-25-15-5-3-14(4-6-15)12-19(13-24)7-9-23(10-8-19)16-11-17(26-2)22-18(20)21-16/h3-6,11,24H,7-10,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyNXMMQWXJDSJGTM-UHFFFAOYSA-N
XLogP1.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol (CID 56758329) is [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol is COc1ccc(CC2(CO)CCN(c3cc(OC)nc(N)n3)CC2)cc1.
What is the InChIKey of [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is NXMMQWXJDSJGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-25-15-5-3-14(4-6-15)12-19(13-24)7-9-23(10-8-19)16-11-17(26-2)22-18(20)21-16/h3-6,11,24H,7-10,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
[1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 358.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-methoxypyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56758329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).