2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine

C18H34N4 — CID 14011029

IUPAC2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine
SMILESCCCCCCCCCc1c(C)nc(N(CC)CC)nc1N
InChIInChI=1S/C18H34N4/c1-5-8-9-10-11-12-13-14-16-15(4)20-18(21-17(16)19)22(6-2)7-3/h5-14H2,1-4H3,(H2,19,20,21)
InChIKeyROQXHSCWTZDUIZ-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.51
Rot. Bonds11

About 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine

2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine (PubChem CID 14011029) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine
PubChem CID14011029
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine
SMILESCCCCCCCCCc1c(C)nc(N(CC)CC)nc1N
InChIInChI=1S/C18H34N4/c1-5-8-9-10-11-12-13-14-16-15(4)20-18(21-17(16)19)22(6-2)7-3/h5-14H2,1-4H3,(H2,19,20,21)
InChIKeyROQXHSCWTZDUIZ-UHFFFAOYSA-N
XLogP4.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-6-methylpyrimidin-3-ium-2,4-diamine
CID 5260123
N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
CID 55113584
6-chloro-5-octyl-2-propylpyrimidin-4-amine
CID 154161263
4,5-dihexyl-3,6-dimethylpyridazine
CID 58250570
N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
CID 62745099
2,3-dihexylbenzene-1,4-diamine
CID 18324632
2-propyl-4,5,6-tri(tetracosyl)pyrimidine
CID 91806969
4,5,6-tri(docosyl)-2-propylpyrimidine
CID 90898493
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine
CID 63612489
6-(2,8-dioctylphenothiazin-10-yl)-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine
CID 110189438
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine (CID 14011029) is 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine is CCCCCCCCCc1c(C)nc(N(CC)CC)nc1N.
What is the InChIKey of 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine?
The InChIKey is ROQXHSCWTZDUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-5-8-9-10-11-12-13-14-16-15(4)20-18(21-17(16)19)22(6-2)7-3/h5-14H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine?
2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine has a molecular weight of 306.50 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-methyl-5-nonylpyrimidine-2,4-diamine is sourced from PubChem (CID 14011029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).