2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine

C12H20N4 — CID 80840076

IUPAC2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)CC2CC2C)n1
InChIInChI=1S/C12H20N4/c1-4-13-12-14-6-5-11(15-12)16(3)8-10-7-9(10)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,13,14,15)
InChIKeyHCEIOGBMNZPGLL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds5

About 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80840076) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80840076
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)CC2CC2C)n1
InChIInChI=1S/C12H20N4/c1-4-13-12-14-6-5-11(15-12)16(3)8-10-7-9(10)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,13,14,15)
InChIKeyHCEIOGBMNZPGLL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80776397
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80792942
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
CID 80808665
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80840076) is 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine is CCNc1nccc(N(C)CC2CC2C)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HCEIOGBMNZPGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-13-12-14-6-5-11(15-12)16(3)8-10-7-9(10)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80840076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).