4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine

C12H20N4 — CID 80774359

IUPAC4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(CC)C1CC1
InChIInChI=1S/C12H20N4/c1-4-10-11(13-3)14-8-15-12(10)16(5-2)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyCEWBYSONCJVWJH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.07
Rot. Bonds5

About 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80774359) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80774359
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(CC)C1CC1
InChIInChI=1S/C12H20N4/c1-4-10-11(13-3)14-8-15-12(10)16(5-2)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyCEWBYSONCJVWJH-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80781625
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80789459
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80787176
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
2-[cyclopentyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80786697
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415
N-ethyl-2-[ethyl-[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80804836
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808426
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80815897
6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine (CID 80774359) is 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1N(CC)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is CEWBYSONCJVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-10-11(13-3)14-8-15-12(10)16(5-2)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80774359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).