4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine

C17H22N4 — CID 80949319

IUPAC4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C17H22N4/c1-3-18-15-11-16(20-17(19-15)14-9-10-14)21(2)12-13-7-5-4-6-8-13/h4-8,11,14H,3,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyJVHAAUBLJMQICO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds6

About 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine

4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80949319) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80949319
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C17H22N4/c1-3-18-15-11-16(20-17(19-15)14-9-10-14)21(2)12-13-7-5-4-6-8-13/h4-8,11,14H,3,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyJVHAAUBLJMQICO-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967419
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80961694
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80961798
2-cyclopropyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 171691345
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 80949319) is 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine is CCNc1cc(N(C)Cc2ccccc2)nc(C2CC2)n1.
What is the InChIKey of 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is JVHAAUBLJMQICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-18-15-11-16(20-17(19-15)14-9-10-14)21(2)12-13-7-5-4-6-8-13/h4-8,11,14H,3,9-10,12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80949319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).