[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H24N6O — CID 109225372

IUPAC[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H24N6O/c1-3-14(2)22-16-11-15(12-19-13-16)17(25)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,11-14,22H,3,7-10H2,1-2H3
InChIKeyRTLXPOBVERPDGJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.04
Rot. Bonds5

About [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109225372) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109225372
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H24N6O/c1-3-14(2)22-16-11-15(12-19-13-16)17(25)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,11-14,22H,3,7-10H2,1-2H3
InChIKeyRTLXPOBVERPDGJ-UHFFFAOYSA-N
XLogP2.04
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1-phenylethylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109232912
[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225306
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
[5-(4-chloroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238703
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238714
(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238713
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109111412
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
3-[[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109238710

Frequently Asked Questions

What is the IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109225372) is [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCC(C)Nc1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RTLXPOBVERPDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-14(2)22-16-11-15(12-19-13-16)17(25)23-7-9-24(10-8-23)18-20-5-4-6-21-18/h4-6,11-14,22H,3,7-10H2,1-2H3.
What are the key properties of [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109225372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).