(3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C18H22N6O — CID 139580391

IUPAC(3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1
InChIInChI=1S/C18H22N6O/c1-13-3-2-6-24(11-13)16(25)14-7-21-17(22-8-14)23-18(4-5-18)15-9-19-12-20-10-15/h7-10,12-13H,2-6,11H2,1H3,(H,21,22,23)
InChIKeyQQFSGDAARCAJCH-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.24
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

(3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 139580391) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID139580391
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1
InChIInChI=1S/C18H22N6O/c1-13-3-2-6-24(11-13)16(25)14-7-21-17(22-8-14)23-18(4-5-18)15-9-19-12-20-10-15/h7-10,12-13H,2-6,11H2,1H3,(H,21,22,23)
InChIKeyQQFSGDAARCAJCH-UHFFFAOYSA-N
XLogP2.24
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone with MolForge

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Related Compounds

(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
CID 139580363
US10906888, Example 188
CID 141746010
US10906888, Example 195
CID 134177541
[(3R)-3-methylsulfonylpiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580343
US10906888, Example 190
CID 139580393
US10906888, Example 198
CID 141746035
US10906888, Example 86
CID 141746014
US10906888, Example 98
CID 139580301
US10906888, Example 35
CID 139580352
US10906888, Example 68
CID 139580368
US10906888, Example 74
CID 139580374
US10906888, Example 89
CID 139580381

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 139580391) is (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is CC1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is QQFSGDAARCAJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-3-2-6-24(11-13)16(25)14-7-21-17(22-8-14)23-18(4-5-18)15-9-19-12-20-10-15/h7-10,12-13H,2-6,11H2,1H3,(H,21,22,23).
What are the key properties of (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
(3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).