N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C13H20N4O — CID 62173238

IUPACN-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NC1CC1
InChIInChI=1S/C13H20N4O/c1-4-14-10-7-15-12(8(2)3)17-11(10)13(18)16-9-5-6-9/h7-9,14H,4-6H2,1-3H3,(H,16,18)
InChIKeyGBRHCEAIJCSQMX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds5

About N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62173238) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62173238
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NC1CC1
InChIInChI=1S/C13H20N4O/c1-4-14-10-7-15-12(8(2)3)17-11(10)13(18)16-9-5-6-9/h7-9,14H,4-6H2,1-3H3,(H,16,18)
InChIKeyGBRHCEAIJCSQMX-UHFFFAOYSA-N
XLogP1.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62173238) is N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CCNc1cnc(C(C)C)nc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GBRHCEAIJCSQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-14-10-7-15-12(8(2)3)17-11(10)13(18)16-9-5-6-9/h7-9,14H,4-6H2,1-3H3,(H,16,18).
What are the key properties of N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62173238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).