N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide

C19H29N5O — CID 46974099

IUPACN-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
SMILESCN1CCN(c2cc(CCNC(=O)C3CCC3)nc(C3CC3)n2)CC1
InChIInChI=1S/C19H29N5O/c1-23-9-11-24(12-10-23)17-13-16(21-18(22-17)14-5-6-14)7-8-20-19(25)15-3-2-4-15/h13-15H,2-12H2,1H3,(H,20,25)
InChIKeyNJIITLKUVGDXRG-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.56
Rot. Bonds6

About N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide

N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide (PubChem CID 46974099) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
PubChem CID46974099
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
SMILESCN1CCN(c2cc(CCNC(=O)C3CCC3)nc(C3CC3)n2)CC1
InChIInChI=1S/C19H29N5O/c1-23-9-11-24(12-10-23)17-13-16(21-18(22-17)14-5-6-14)7-8-20-19(25)15-3-2-4-15/h13-15H,2-12H2,1H3,(H,20,25)
InChIKeyNJIITLKUVGDXRG-UHFFFAOYSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide (CID 46974099) is N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide is CN1CCN(c2cc(CCNC(=O)C3CCC3)nc(C3CC3)n2)CC1.
What is the InChIKey of N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is NJIITLKUVGDXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-23-9-11-24(12-10-23)17-13-16(21-18(22-17)14-5-6-14)7-8-20-19(25)15-3-2-4-15/h13-15H,2-12H2,1H3,(H,20,25).
What are the key properties of N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide?
N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 343.48 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 46974099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).