6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C17H30N4 — CID 107421253

IUPAC6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCC2CCCC2C)c1C
InChIInChI=1S/C17H30N4/c1-6-18-16-13(5)17(21-15(20-16)11(2)3)19-10-14-9-7-8-12(14)4/h11-12,14H,6-10H2,1-5H3,(H2,18,19,20,21)
InChIKeyNXTROCSGVOZNIT-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.19
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107421253) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107421253
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCC2CCCC2C)c1C
InChIInChI=1S/C17H30N4/c1-6-18-16-13(5)17(21-15(20-16)11(2)3)19-10-14-9-7-8-12(14)4/h11-12,14H,6-10H2,1-5H3,(H2,18,19,20,21)
InChIKeyNXTROCSGVOZNIT-UHFFFAOYSA-N
XLogP4.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421345
[2-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80992379
6-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984840
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80980822
N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107420127
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 107421253) is 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(NCC2CCCC2C)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NXTROCSGVOZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-18-16-13(5)17(21-15(20-16)11(2)3)19-10-14-9-7-8-12(14)4/h11-12,14H,6-10H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107421253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).