N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine

C12H21FN4 — CID 114045824

IUPACN'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCc1ncnc(N(CCN)CC(C)C)c1F
InChIInChI=1S/C12H21FN4/c1-4-10-11(13)12(16-8-15-10)17(6-5-14)7-9(2)3/h8-9H,4-7,14H2,1-3H3
InChIKeyDZEHEJWXGQGMKV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.60
Rot. Bonds6

About N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine

N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114045824) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID114045824
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC NameN'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCc1ncnc(N(CCN)CC(C)C)c1F
InChIInChI=1S/C12H21FN4/c1-4-10-11(13)12(16-8-15-10)17(6-5-14)7-9(2)3/h8-9H,4-7,14H2,1-3H3
InChIKeyDZEHEJWXGQGMKV-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62832825
N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 55091105
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 114045771
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]butanethioamide
CID 114045573
propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate
CID 133420419
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
2-[cyclopropylmethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetic acid
CID 114045489
N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133419197
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901167
6-N,6-N-dimethyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136904

Frequently Asked Questions

What is the IUPAC name of N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 114045824) is N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine is CCc1ncnc(N(CCN)CC(C)C)c1F.
What is the InChIKey of N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is DZEHEJWXGQGMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-4-10-11(13)12(16-8-15-10)17(6-5-14)7-9(2)3/h8-9H,4-7,14H2,1-3H3.
What are the key properties of N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 240.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114045824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).