N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide

C21H26N4O — CID 90710188

IUPACN-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cccc(-c2ccnc(NC3CCCCC3)n2)c1)C1CC1
InChIInChI=1S/C21H26N4O/c26-20(16-9-10-16)23-14-15-5-4-6-17(13-15)19-11-12-22-21(25-19)24-18-7-2-1-3-8-18/h4-6,11-13,16,18H,1-3,7-10,14H2,(H,23,26)(H,22,24,25)
InChIKeyWHFNJVWGPBXYPR-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.91
Rot. Bonds6

About N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide

N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 90710188) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID90710188
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cccc(-c2ccnc(NC3CCCCC3)n2)c1)C1CC1
InChIInChI=1S/C21H26N4O/c26-20(16-9-10-16)23-14-15-5-4-6-17(13-15)19-11-12-22-21(25-19)24-18-7-2-1-3-8-18/h4-6,11-13,16,18H,1-3,7-10,14H2,(H,23,26)(H,22,24,25)
InChIKeyWHFNJVWGPBXYPR-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide (CID 90710188) is N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1cccc(-c2ccnc(NC3CCCCC3)n2)c1)C1CC1.
What is the InChIKey of N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is WHFNJVWGPBXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(16-9-10-16)23-14-15-5-4-6-17(13-15)19-11-12-22-21(25-19)24-18-7-2-1-3-8-18/h4-6,11-13,16,18H,1-3,7-10,14H2,(H,23,26)(H,22,24,25).
What are the key properties of N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide?
N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 90710188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).