(2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone

C16H24N4O2 — CID 74245329

IUPAC(2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone
SMILESCOCCCN1CCN(C(=O)c2cnc(C3CC3)nc2)CC1
InChIInChI=1S/C16H24N4O2/c1-22-10-2-5-19-6-8-20(9-7-19)16(21)14-11-17-15(18-12-14)13-3-4-13/h11-13H,2-10H2,1H3
InChIKeyJOKWLDVGQNXAKY-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.15
Rot. Bonds6

About (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone (PubChem CID 74245329) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone
PubChem CID74245329
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone
SMILESCOCCCN1CCN(C(=O)c2cnc(C3CC3)nc2)CC1
InChIInChI=1S/C16H24N4O2/c1-22-10-2-5-19-6-8-20(9-7-19)16(21)14-11-17-15(18-12-14)13-3-4-13/h11-13H,2-10H2,1H3
InChIKeyJOKWLDVGQNXAKY-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1'-[(2-Cyclopropyl-5-pyrimidinyl)carbonyl]-1,4'-bipiperidin-4-ol
CID 56886189
2-Ethyl-5-{[3-(1-piperidinyl)-1-azetidinyl]carbonyl}pyrimidine
CID 72857165
(4-Cyclohexyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone
CID 72857986
(2R*,6S*)-4-[(2-ethyl-5-pyrimidinyl)carbonyl]-2,6-dimethylmorpholine
CID 72861818
N,2-diethyl-N-(2-methoxyethyl)-5-pyrimidinecarboxamide
CID 72871529
6-(Cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741259
6-(Cyclopropylmethyl)-9-methyl-2-[methyl(propyl)amino]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741285
6-(Cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741306
6-(Cyclopropylmethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741369
6-(Cyclopropylmethyl)-9-methyl-2-pyrrolidin-1-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741428
6-(Cyclopropylmethyl)-9-methyl-2-piperidin-1-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741429
N-ethyl-5-{[4-(4-methoxybutyl)-1-piperazinyl]carbonyl}-2-pyrimidinamine
CID 72846032

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone (CID 74245329) is (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone is COCCCN1CCN(C(=O)c2cnc(C3CC3)nc2)CC1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone?
The InChIKey is JOKWLDVGQNXAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-22-10-2-5-19-6-8-20(9-7-19)16(21)14-11-17-15(18-12-14)13-3-4-13/h11-13H,2-10H2,1H3.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[4-(3-methoxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 74245329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).