N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide

C12H20N4O — CID 109338316

IUPACN-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C12H20N4O/c1-5-6-13-10-7-9(14-8-15-10)11(17)16-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyLGOVXXSOYOIVDX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.83
Rot. Bonds4

About N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide

N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109338316) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109338316
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C12H20N4O/c1-5-6-13-10-7-9(14-8-15-10)11(17)16-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyLGOVXXSOYOIVDX-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338352
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109338279
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109353919
N-(1,1-dioxothiolan-3-yl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338288
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide (CID 109338316) is N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)NC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is LGOVXXSOYOIVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-5-6-13-10-7-9(14-8-15-10)11(17)16-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17)(H,13,14,15).
What are the key properties of N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide?
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).