2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile

C14H20N4 — CID 39348452

IUPAC2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCC1CCN(c2nc(C#N)cc(C(C)C)n2)CC1
InChIInChI=1S/C14H20N4/c1-10(2)13-8-12(9-15)16-14(17-13)18-6-4-11(3)5-7-18/h8,10-11H,4-7H2,1-3H3
InChIKeySKSLVFPEDOWMBN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.71
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile

2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile (PubChem CID 39348452) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
PubChem CID39348452
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCC1CCN(c2nc(C#N)cc(C(C)C)n2)CC1
InChIInChI=1S/C14H20N4/c1-10(2)13-8-12(9-15)16-14(17-13)18-6-4-11(3)5-7-18/h8,10-11H,4-7H2,1-3H3
InChIKeySKSLVFPEDOWMBN-UHFFFAOYSA-N
XLogP2.71
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39360440
4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 94672654
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39377350
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 25474747
6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 39347700
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
CID 170581392
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile (CID 39348452) is 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile is CC1CCN(c2nc(C#N)cc(C(C)C)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The InChIKey is SKSLVFPEDOWMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)13-8-12(9-15)16-14(17-13)18-6-4-11(3)5-7-18/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 39348452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).