N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine

C11H19ClN4O — CID 80758520

IUPACN'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(OC)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-3-6-16(7-4-5-13)10-9(12)8-14-11(15-10)17-2/h8H,3-7,13H2,1-2H3
InChIKeyPTPPYRUVJBEDPF-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.70
Rot. Bonds7

About N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine (PubChem CID 80758520) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
PubChem CID80758520
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(OC)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-3-6-16(7-4-5-13)10-9(12)8-14-11(15-10)17-2/h8H,3-7,13H2,1-2H3
InChIKeyPTPPYRUVJBEDPF-UHFFFAOYSA-N
XLogP1.70
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 80758708
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
CID 80752006
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 80747253
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine
CID 80753181
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate
CID 80751895
N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine
CID 60870239
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 80752001
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118
5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 100690694
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine (CID 80758520) is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1nc(OC)ncc1Cl.
What is the InChIKey of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is PTPPYRUVJBEDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-6-16(7-4-5-13)10-9(12)8-14-11(15-10)17-2/h8H,3-7,13H2,1-2H3.
What are the key properties of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine?
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 258.75 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 80758520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).