6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C19H25N5 — CID 112869351

IUPAC6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC2=CCCCC2)cc(NCc2ccccn2)n1
InChIInChI=1S/C19H25N5/c1-15-23-18(21-12-10-16-7-3-2-4-8-16)13-19(24-15)22-14-17-9-5-6-11-20-17/h5-7,9,11,13H,2-4,8,10,12,14H2,1H3,(H2,21,22,23,24)
InChIKeyALQJDQKFNZHMOP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.09
Rot. Bonds7

About 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112869351) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112869351
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC2=CCCCC2)cc(NCc2ccccn2)n1
InChIInChI=1S/C19H25N5/c1-15-23-18(21-12-10-16-7-3-2-4-8-16)13-19(24-15)22-14-17-9-5-6-11-20-17/h5-7,9,11,13H,2-4,8,10,12,14H2,1H3,(H2,21,22,23,24)
InChIKeyALQJDQKFNZHMOP-UHFFFAOYSA-N
XLogP4.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
4-N-(2-chlorophenyl)-6-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869401
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869410
6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869429
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869368
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
4-N-benzyl-6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 112869350
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 112869351) is 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is Cc1nc(NCCC2=CCCCC2)cc(NCc2ccccn2)n1.
What is the InChIKey of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ALQJDQKFNZHMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-15-23-18(21-12-10-16-7-3-2-4-8-16)13-19(24-15)22-14-17-9-5-6-11-20-17/h5-7,9,11,13H,2-4,8,10,12,14H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 323.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112869351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).