N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine

C16H18N6 — CID 97444030

IUPACN-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESC[C@H](CCn1cccn1)Nc1nccc(-c2ccccn2)n1
InChIInChI=1S/C16H18N6/c1-13(7-12-22-11-4-9-19-22)20-16-18-10-6-15(21-16)14-5-2-3-8-17-14/h2-6,8-11,13H,7,12H2,1H3,(H,18,20,21)/t13-/m1/s1
InChIKeyFIKRLCRITCWOIG-CYBMUJFWSA-N
MW294.36 g/mol
LogP2.63
Rot. Bonds6

About N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine

N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 97444030) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID97444030
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESC[C@H](CCn1cccn1)Nc1nccc(-c2ccccn2)n1
InChIInChI=1S/C16H18N6/c1-13(7-12-22-11-4-9-19-22)20-16-18-10-6-15(21-16)14-5-2-3-8-17-14/h2-6,8-11,13H,7,12H2,1H3,(H,18,20,21)/t13-/m1/s1
InChIKeyFIKRLCRITCWOIG-CYBMUJFWSA-N
XLogP2.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine (CID 97444030) is N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine is C[C@H](CCn1cccn1)Nc1nccc(-c2ccccn2)n1.
What is the InChIKey of N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is FIKRLCRITCWOIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6/c1-13(7-12-22-11-4-9-19-22)20-16-18-10-6-15(21-16)14-5-2-3-8-17-14/h2-6,8-11,13H,7,12H2,1H3,(H,18,20,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 97444030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).