N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine

C13H24N4 — CID 103278974

IUPACN'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCCCc1cnc(NCCN)nc1C
InChIInChI=1S/C13H24N4/c1-3-4-5-6-7-12-10-16-13(15-9-8-14)17-11(12)2/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyNIYKNHHHQQRBJR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds8

About N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine

N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 103278974) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID103278974
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCCCc1cnc(NCCN)nc1C
InChIInChI=1S/C13H24N4/c1-3-4-5-6-7-12-10-16-13(15-9-8-14)17-11(12)2/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyNIYKNHHHQQRBJR-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-5-pentylpyrimidin-2-amine
CID 63549616
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate
CID 174832631
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
5-methyl-N-octylpyrimidin-2-amine
CID 115568974
5-hexylpyrimidine-2,4-diamine
CID 23086565
N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83834527
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
CID 83188895
4-butyl-5-fluoro-N-propylpyrimidin-2-amine
CID 106659320
[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279282
5-chloro-N-hexylpyrimidin-2-amine
CID 79555195

Frequently Asked Questions

What is the IUPAC name of N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine (CID 103278974) is N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine is CCCCCCc1cnc(NCCN)nc1C.
What is the InChIKey of N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is NIYKNHHHQQRBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-4-5-6-7-12-10-16-13(15-9-8-14)17-11(12)2/h10H,3-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 103278974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).