(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone

C14H22N4O — CID 109338249

IUPAC(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCC(C)CC2)ncn1
InChIInChI=1S/C14H22N4O/c1-3-6-15-13-9-12(16-10-17-13)14(19)18-7-4-11(2)5-8-18/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyDKBWQLQKKIGGAE-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.17
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone (PubChem CID 109338249) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
PubChem CID109338249
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCC(C)CC2)ncn1
InChIInChI=1S/C14H22N4O/c1-3-6-15-13-9-12(16-10-17-13)14(19)18-7-4-11(2)5-8-18/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyDKBWQLQKKIGGAE-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109342324
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342403
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354186
[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341012
methyl 2-[[6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109342450
[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342470
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364250
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone (CID 109338249) is (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone is CCCNc1cc(C(=O)N2CCC(C)CC2)ncn1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone?
The InChIKey is DKBWQLQKKIGGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-6-15-13-9-12(16-10-17-13)14(19)18-7-4-11(2)5-8-18/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109338249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).