4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

C12H20N4 — CID 80838815

IUPAC4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(CC1CC1)c1nc(C)nc(N)c1C
InChIInChI=1S/C12H20N4/c1-4-16(7-10-5-6-10)12-8(2)11(13)14-9(3)15-12/h10H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyCVGXCQCCZWONTC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds4

About 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80838815) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80838815
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(CC1CC1)c1nc(C)nc(N)c1C
InChIInChI=1S/C12H20N4/c1-4-16(7-10-5-6-10)12-8(2)11(13)14-9(3)15-12/h10H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyCVGXCQCCZWONTC-UHFFFAOYSA-N
XLogP1.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
4-N-(cyclopropylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80798139
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107403147
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80825264
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
4-N,2-diethyl-5-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80987253
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 114216694
4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80821340
N-ethyl-2,5-dimethyl-N-(oxan-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 50985053
2-cyclopropyl-4-N-ethyl-4-N-(2-ethylbutyl)-5-methylpyrimidine-4,6-diamine
CID 80987255

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (CID 80838815) is 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is CCN(CC1CC1)c1nc(C)nc(N)c1C.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is CVGXCQCCZWONTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-16(7-10-5-6-10)12-8(2)11(13)14-9(3)15-12/h10H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80838815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).