N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide

C14H22N4O — CID 120601630

IUPACN-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC1CC(NC(=O)c2cncnc2C(C)C)CCN1
InChIInChI=1S/C14H22N4O/c1-9(2)13-12(7-15-8-17-13)14(19)18-11-4-5-16-10(3)6-11/h7-11,16H,4-6H2,1-3H3,(H,18,19)
InChIKeyGEWNOCZXUDYQKF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.47
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide

N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 120601630) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID120601630
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC1CC(NC(=O)c2cncnc2C(C)C)CCN1
InChIInChI=1S/C14H22N4O/c1-9(2)13-12(7-15-8-17-13)14(19)18-11-4-5-16-10(3)6-11/h7-11,16H,4-6H2,1-3H3,(H,18,19)
InChIKeyGEWNOCZXUDYQKF-UHFFFAOYSA-N
XLogP1.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide (CID 120601630) is N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide is CC1CC(NC(=O)c2cncnc2C(C)C)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is GEWNOCZXUDYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)13-12(7-15-8-17-13)14(19)18-11-4-5-16-10(3)6-11/h7-11,16H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 120601630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).