[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

C18H23N5O — CID 110102849

IUPAC[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCN(C)c1ncc(C(=O)N2CCC(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C18H23N5O/c1-22(2)18-20-12-16(13-21-18)17(24)23-9-5-15(6-10-23)11-14-3-7-19-8-4-14/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3
InChIKeyHXAVCMPSKRZIPA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.03
Rot. Bonds4

About [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110102849) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID110102849
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCN(C)c1ncc(C(=O)N2CCC(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C18H23N5O/c1-22(2)18-20-12-16(13-21-18)17(24)23-9-5-15(6-10-23)11-14-3-7-19-8-4-14/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3
InChIKeyHXAVCMPSKRZIPA-UHFFFAOYSA-N
XLogP2.03
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72858587
(4-benzylpiperidin-1-yl)-[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]methanone
CID 109253537
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
3-methyl-5-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 110102911
[4-(isoquinolin-6-ylmethyl)azepan-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110098883
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (CID 110102849) is [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is CN(C)c1ncc(C(=O)N2CCC(Cc3ccncc3)CC2)cn1.
What is the InChIKey of [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is HXAVCMPSKRZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22(2)18-20-12-16(13-21-18)17(24)23-9-5-15(6-10-23)11-14-3-7-19-8-4-14/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3.
What are the key properties of [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110102849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).