(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone

C14H23N5O — CID 109318879

IUPAC(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1nc(C)cc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-4-5-15-14-16-11(2)10-12(17-14)13(20)19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyOTHHMLMEODCYMP-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.99
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone

(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone (PubChem CID 109318879) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
PubChem CID109318879
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1nc(C)cc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-4-5-15-14-16-11(2)10-12(17-14)13(20)19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyOTHHMLMEODCYMP-UHFFFAOYSA-N
XLogP0.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-methyl-2-(propylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109318922
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318902
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318950
[2-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325870
[6-methyl-2-(propylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109318929
ethyl 4-[2-(2-methoxyethylamino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109323537
(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109326189
[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325994
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324356

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone (CID 109318879) is (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone is CCCNc1nc(C)cc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
The InChIKey is OTHHMLMEODCYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-5-15-14-16-11(2)10-12(17-14)13(20)19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109318879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).