[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C22H30N6O2 — CID 122348235

IUPAC[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cn1
InChIInChI=1S/C22H30N6O2/c1-16-14-19(26-22(24-16)25-18-6-4-3-5-7-18)27-10-12-28(13-11-27)21(29)17-8-9-20(30-2)23-15-17/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,24,25,26)
InChIKeyRTPHAZNAHKBZFT-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.90
Rot. Bonds5

About [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 122348235) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID122348235
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cn1
InChIInChI=1S/C22H30N6O2/c1-16-14-19(26-22(24-16)25-18-6-4-3-5-7-18)27-10-12-28(13-11-27)21(29)17-8-9-20(30-2)23-15-17/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,24,25,26)
InChIKeyRTPHAZNAHKBZFT-UHFFFAOYSA-N
XLogP2.90
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 121090271
(6-cyclopentyloxy-3-pyridinyl)-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333384
(5-chloro-2-methoxyphenyl)-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 121090268
4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47001646
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
(6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333876
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 121090230
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122348233
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122348210

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 122348235) is [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cn1.
What is the InChIKey of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is RTPHAZNAHKBZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-16-14-19(26-22(24-16)25-18-6-4-3-5-7-18)27-10-12-28(13-11-27)21(29)17-8-9-20(30-2)23-15-17/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,24,25,26).
What are the key properties of [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 410.52 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 122348235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).