4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine

C14H25N5 — CID 80934905

IUPAC4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCN(C)C2CC2)nc(CC)n1
InChIInChI=1S/C14H25N5/c1-4-12-17-13(15-5-2)10-14(18-12)16-8-9-19(3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyAGFNMNZLJUNBTB-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.98
Rot. Bonds8

About 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine

4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80934905) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80934905
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCN(C)C2CC2)nc(CC)n1
InChIInChI=1S/C14H25N5/c1-4-12-17-13(15-5-2)10-14(18-12)16-8-9-19(3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyAGFNMNZLJUNBTB-UHFFFAOYSA-N
XLogP1.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80954913
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 62980104
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 102741196
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine
CID 102741401
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine (CID 80934905) is 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(NCCN(C)C2CC2)nc(CC)n1.
What is the InChIKey of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is AGFNMNZLJUNBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-12-17-13(15-5-2)10-14(18-12)16-8-9-19(3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).