1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine

C20H25N7O — CID 72904735

IUPAC1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCc1ccc(-c2ccnc(N3CCC(NCc4noc(C)n4)CC3)n2)c(C)n1
InChIInChI=1S/C20H25N7O/c1-13-4-5-17(14(2)23-13)18-6-9-21-20(25-18)27-10-7-16(8-11-27)22-12-19-24-15(3)28-26-19/h4-6,9,16,22H,7-8,10-12H2,1-3H3
InChIKeyQKQZYHGRQZICBX-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.61
Rot. Bonds5

About 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine

1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine (PubChem CID 72904735) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
PubChem CID72904735
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCc1ccc(-c2ccnc(N3CCC(NCc4noc(C)n4)CC3)n2)c(C)n1
InChIInChI=1S/C20H25N7O/c1-13-4-5-17(14(2)23-13)18-6-9-21-20(25-18)27-10-7-16(8-11-27)22-12-19-24-15(3)28-26-19/h4-6,9,16,22H,7-8,10-12H2,1-3H3
InChIKeyQKQZYHGRQZICBX-UHFFFAOYSA-N
XLogP2.61
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
CID 56872592
5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134706824
5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138379695
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 106391885
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 134709074
2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 56875539
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
CID 72915034
(1R,5R)-3-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72936084
(1S,5S)-3-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133123561
(3R,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-(4-methoxyphenyl)pyrrolidin-3-amine
CID 72894514
(4S)-2-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96572485
(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
CID 56881296

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine (CID 72904735) is 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine is Cc1ccc(-c2ccnc(N3CCC(NCc4noc(C)n4)CC3)n2)c(C)n1.
What is the InChIKey of 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is QKQZYHGRQZICBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-13-4-5-17(14(2)23-13)18-6-9-21-20(25-18)27-10-7-16(8-11-27)22-12-19-24-15(3)28-26-19/h4-6,9,16,22H,7-8,10-12H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 379.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72904735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).