N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine

C14H17FN4O — CID 104606037

IUPACN'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ncc(F)cn2)c1
InChIInChI=1S/C14H17FN4O/c1-20-13-5-2-4-12(8-13)19(7-3-6-16)14-17-9-11(15)10-18-14/h2,4-5,8-10H,3,6-7,16H2,1H3
InChIKeyFRYZFYFCDAFESJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.11
Rot. Bonds6

About N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine

N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine (PubChem CID 104606037) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
PubChem CID104606037
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC NameN'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ncc(F)cn2)c1
InChIInChI=1S/C14H17FN4O/c1-20-13-5-2-4-12(8-13)19(7-3-6-16)14-17-9-11(15)10-18-14/h2,4-5,8-10H,3,6-7,16H2,1H3
InChIKeyFRYZFYFCDAFESJ-UHFFFAOYSA-N
XLogP2.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 104606031
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270073
N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
6-[N-(3-aminopropyl)-3-methoxyanilino]-2H-1,2,4-triazine-3,5-dione
CID 60871405
5-amino-4-[N-(3-aminopropyl)-3-methoxyanilino]-1H-pyrimidin-6-one
CID 136972523
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63208164
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine (CID 104606037) is N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine is COc1cccc(N(CCCN)c2ncc(F)cn2)c1.
What is the InChIKey of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine?
The InChIKey is FRYZFYFCDAFESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-20-13-5-2-4-12(8-13)19(7-3-6-16)14-17-9-11(15)10-18-14/h2,4-5,8-10H,3,6-7,16H2,1H3.
What are the key properties of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine?
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine has a molecular weight of 276.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 104606037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).