1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile

C11H15N5O — CID 156538123

IUPAC1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
SMILESCOC1CCN(c2nccc(N)n2)CC1C#N
InChIInChI=1S/C11H15N5O/c1-17-9-3-5-16(7-8(9)6-12)11-14-4-2-10(13)15-11/h2,4,8-9H,3,5,7H2,1H3,(H2,13,14,15)
InChIKeyTZSARHNDLWYSQQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.42
Rot. Bonds2

About 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile

1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile (PubChem CID 156538123) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
PubChem CID156538123
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
SMILESCOC1CCN(c2nccc(N)n2)CC1C#N
InChIInChI=1S/C11H15N5O/c1-17-9-3-5-16(7-8(9)6-12)11-14-4-2-10(13)15-11/h2,4,8-9H,3,5,7H2,1H3,(H2,13,14,15)
InChIKeyTZSARHNDLWYSQQ-UHFFFAOYSA-N
XLogP0.42
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile?
The IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile (CID 156538123) is 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile.
What is the SMILES notation for 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile?
The canonical SMILES for 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile is COC1CCN(c2nccc(N)n2)CC1C#N.
What is the InChIKey of 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile?
The InChIKey is TZSARHNDLWYSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-17-9-3-5-16(7-8(9)6-12)11-14-4-2-10(13)15-11/h2,4,8-9H,3,5,7H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile?
1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile is sourced from PubChem (CID 156538123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).