4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine

C12H22N6 — CID 80823298

IUPAC4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCN(C)C2CC2)nc(N)n1
InChIInChI=1S/C12H22N6/c1-3-14-10-8-11(17-12(13)16-10)15-6-7-18(2)9-4-5-9/h8-9H,3-7H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyXAQROVYZWABAJJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds7

About 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine

4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80823298) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80823298
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCN(C)C2CC2)nc(N)n1
InChIInChI=1S/C12H22N6/c1-3-14-10-8-11(17-12(13)16-10)15-6-7-18(2)9-4-5-9/h8-9H,3-7H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyXAQROVYZWABAJJ-UHFFFAOYSA-N
XLogP1.00
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934905
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80954913
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 62980104
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
CID 90909451
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine (CID 80823298) is 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NCCN(C)C2CC2)nc(N)n1.
What is the InChIKey of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is XAQROVYZWABAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-3-14-10-8-11(17-12(13)16-10)15-6-7-18(2)9-4-5-9/h8-9H,3-7H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 250.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80823298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).