N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide

C11H18N4O — CID 102921194

IUPACN-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1cncnc1
InChIInChI=1S/C11H18N4O/c1-3-15(7-9(2)4-12)11(16)10-5-13-8-14-6-10/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyTWYIFHHJAVVHCF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide

N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide (PubChem CID 102921194) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide
PubChem CID102921194
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1cncnc1
InChIInChI=1S/C11H18N4O/c1-3-15(7-9(2)4-12)11(16)10-5-13-8-14-6-10/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyTWYIFHHJAVVHCF-UHFFFAOYSA-N
XLogP0.53
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide (CID 102921194) is N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide is CCN(CC(C)CN)C(=O)c1cncnc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide?
The InChIKey is TWYIFHHJAVVHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(7-9(2)4-12)11(16)10-5-13-8-14-6-10/h5-6,8-9H,3-4,7,12H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide?
N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 102921194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).