4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide

C8H9N5O — CID 131084015

IUPAC4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide
SMILESC[C@H](C#N)NC(=O)c1cncnc1N
InChIInChI=1S/C8H9N5O/c1-5(2-9)13-8(14)6-3-11-4-12-7(6)10/h3-5H,1H3,(H,13,14)(H2,10,11,12)/t5-/m1/s1
InChIKeyJTPQXKOWRYRBDW-RXMQYKEDSA-N
MW191.19 g/mol
LogP-0.30
Rot. Bonds2

About 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide

4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide (PubChem CID 131084015) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide
PubChem CID131084015
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide
SMILESC[C@H](C#N)NC(=O)c1cncnc1N
InChIInChI=1S/C8H9N5O/c1-5(2-9)13-8(14)6-3-11-4-12-7(6)10/h3-5H,1H3,(H,13,14)(H2,10,11,12)/t5-/m1/s1
InChIKeyJTPQXKOWRYRBDW-RXMQYKEDSA-N
XLogP-0.30
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide (CID 131084015) is 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide is C[C@H](C#N)NC(=O)c1cncnc1N.
What is the InChIKey of 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide?
The InChIKey is JTPQXKOWRYRBDW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9N5O/c1-5(2-9)13-8(14)6-3-11-4-12-7(6)10/h3-5H,1H3,(H,13,14)(H2,10,11,12)/t5-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide?
4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide has a molecular weight of 191.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-cyanoethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 131084015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).