(2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone

C18H24N6O — CID 67739742

IUPAC(2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone
SMILESCC(C)C[C@H]1CN(c2ccnc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C18H24N6O/c1-12(2)10-13-11-24(9-8-20-13)15-5-7-22-18(23-15)16(25)14-4-3-6-21-17(14)19/h3-7,12-13,20H,8-11H2,1-2H3,(H2,19,21)/t13-/m0/s1
InChIKeyQIQBHNBZMHUHMC-ZDUSSCGKSA-N
MW340.43 g/mol
LogP1.51
Rot. Bonds5

About (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone

(2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone (PubChem CID 67739742) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone
PubChem CID67739742
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone
SMILESCC(C)C[C@H]1CN(c2ccnc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C18H24N6O/c1-12(2)10-13-11-24(9-8-20-13)15-5-7-22-18(23-15)16(25)14-4-3-6-21-17(14)19/h3-7,12-13,20H,8-11H2,1-2H3,(H2,19,21)/t13-/m0/s1
InChIKeyQIQBHNBZMHUHMC-ZDUSSCGKSA-N
XLogP1.51
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone (CID 67739742) is (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone is CC(C)C[C@H]1CN(c2ccnc(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone?
The InChIKey is QIQBHNBZMHUHMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)10-13-11-24(9-8-20-13)15-5-7-22-18(23-15)16(25)14-4-3-6-21-17(14)19/h3-7,12-13,20H,8-11H2,1-2H3,(H2,19,21)/t13-/m0/s1.
What are the key properties of (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone?
(2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]methanone is sourced from PubChem (CID 67739742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).