N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide

C13H21N5O — CID 110257754

IUPACN-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1c1ncccn1
InChIInChI=1S/C13H21N5O/c1-10(2)17-7-8-18(11(9-17)12(19)14-3)13-15-5-4-6-16-13/h4-6,10-11H,7-9H2,1-3H3,(H,14,19)
InChIKeyCDNVFRKOZCTRGY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.12
Rot. Bonds3

About N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide

N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide (PubChem CID 110257754) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide
PubChem CID110257754
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1c1ncccn1
InChIInChI=1S/C13H21N5O/c1-10(2)17-7-8-18(11(9-17)12(19)14-3)13-15-5-4-6-16-13/h4-6,10-11H,7-9H2,1-3H3,(H,14,19)
InChIKeyCDNVFRKOZCTRGY-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide?
The IUPAC name of N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide (CID 110257754) is N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide?
The canonical SMILES for N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide is CNC(=O)C1CN(C(C)C)CCN1c1ncccn1.
What is the InChIKey of N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide?
The InChIKey is CDNVFRKOZCTRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(2)17-7-8-18(11(9-17)12(19)14-3)13-15-5-4-6-16-13/h4-6,10-11H,7-9H2,1-3H3,(H,14,19).
What are the key properties of N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide?
N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-1-pyrimidin-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110257754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).