[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C18H28N4O — CID 109311434

IUPAC[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(NC3CCCCCC3)n2)C1
InChIInChI=1S/C18H28N4O/c1-14-7-6-12-22(13-14)17(23)16-10-11-19-18(21-16)20-15-8-4-2-3-5-9-15/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,20,21)
InChIKeyMOQPNUGVUWWBPN-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.48
Rot. Bonds3

About [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109311434) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109311434
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(NC3CCCCCC3)n2)C1
InChIInChI=1S/C18H28N4O/c1-14-7-6-12-22(13-14)17(23)16-10-11-19-18(21-16)20-15-8-4-2-3-5-9-15/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,20,21)
InChIKeyMOQPNUGVUWWBPN-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855
(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295994
N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109312821
[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
[2-(3,4-dimethylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312774
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312797
[2-(3-chloro-2-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312794
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109309740

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109311434) is [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccnc(NC3CCCCCC3)n2)C1.
What is the InChIKey of [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is MOQPNUGVUWWBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-7-6-12-22(13-14)17(23)16-10-11-19-18(21-16)20-15-8-4-2-3-5-9-15/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,20,21).
What are the key properties of [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109311434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).