2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile

C14H15N5 — CID 174702784

IUPAC2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile
SMILESCCCC(C#N)c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C14H15N5/c1-2-3-10(6-15)11-4-5-13(17-7-11)12-8-18-14(16)19-9-12/h4-5,7-10H,2-3H2,1H3,(H2,16,18,19)
InChIKeyUNXQZDLQWZMNQN-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.53
Rot. Bonds4

About 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile (PubChem CID 174702784) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile
PubChem CID174702784
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile
SMILESCCCC(C#N)c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C14H15N5/c1-2-3-10(6-15)11-4-5-13(17-7-11)12-8-18-14(16)19-9-12/h4-5,7-10H,2-3H2,1H3,(H2,16,18,19)
InChIKeyUNXQZDLQWZMNQN-UHFFFAOYSA-N
XLogP2.53
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile (CID 174702784) is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile is CCCC(C#N)c1ccc(-c2cnc(N)nc2)nc1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile?
The InChIKey is UNXQZDLQWZMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-3-10(6-15)11-4-5-13(17-7-11)12-8-18-14(16)19-9-12/h4-5,7-10H,2-3H2,1H3,(H2,16,18,19).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile?
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile has a molecular weight of 253.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile is sourced from PubChem (CID 174702784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).