N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine

C16H18N4O — CID 95857481

IUPACN-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2cnc(NC3CC3)nc2[C@@H]2CCCO2)ccn1
InChIInChI=1S/C16H18N4O/c1-2-14(21-9-1)15-13(11-5-7-17-8-6-11)10-18-16(20-15)19-12-3-4-12/h5-8,10,12,14H,1-4,9H2,(H,18,19,20)/t14-/m0/s1
InChIKeyJMKHMBUQIPLYBK-AWEZNQCLSA-N
MW282.35 g/mol
LogP2.96
Rot. Bonds4

About N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine

N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 95857481) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID95857481
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2cnc(NC3CC3)nc2[C@@H]2CCCO2)ccn1
InChIInChI=1S/C16H18N4O/c1-2-14(21-9-1)15-13(11-5-7-17-8-6-11)10-18-16(20-15)19-12-3-4-12/h5-8,10,12,14H,1-4,9H2,(H,18,19,20)/t14-/m0/s1
InChIKeyJMKHMBUQIPLYBK-AWEZNQCLSA-N
XLogP2.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine (CID 95857481) is N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine is c1cc(-c2cnc(NC3CC3)nc2[C@@H]2CCCO2)ccn1.
What is the InChIKey of N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is JMKHMBUQIPLYBK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-14(21-9-1)15-13(11-5-7-17-8-6-11)10-18-16(20-15)19-12-3-4-12/h5-8,10,12,14H,1-4,9H2,(H,18,19,20)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine?
N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 95857481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).