N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C10H18N4O — CID 66324958

IUPACN-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C10H18N4O/c1-14(2)6-4-5-11-9-7-10(15-3)13-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyOYGKRGOMKAJDLC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.85
Rot. Bonds6

About N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 66324958) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID66324958
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C10H18N4O/c1-14(2)6-4-5-11-9-7-10(15-3)13-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyOYGKRGOMKAJDLC-UHFFFAOYSA-N
XLogP0.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857735
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 66324958) is N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is COc1cc(NCCCN(C)C)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is OYGKRGOMKAJDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14(2)6-4-5-11-9-7-10(15-3)13-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 66324958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).