N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine

C10H18N4O — CID 66089762

IUPACN-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
SMILESCOc1ccnc(NCC(C)CCN)n1
InChIInChI=1S/C10H18N4O/c1-8(3-5-11)7-13-10-12-6-4-9(14-10)15-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,13,14)
InChIKeyALDHOHOCTNSDRB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds6

About N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine

N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine (PubChem CID 66089762) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
PubChem CID66089762
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
SMILESCOc1ccnc(NCC(C)CCN)n1
InChIInChI=1S/C10H18N4O/c1-8(3-5-11)7-13-10-12-6-4-9(14-10)15-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,13,14)
InChIKeyALDHOHOCTNSDRB-UHFFFAOYSA-N
XLogP0.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 56684317
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
CID 172904275
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 112635894
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
N-(6,7-dimethoxyisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543452

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine (CID 66089762) is N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine is COc1ccnc(NCC(C)CCN)n1.
What is the InChIKey of N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine?
The InChIKey is ALDHOHOCTNSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(3-5-11)7-13-10-12-6-4-9(14-10)15-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine?
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 66089762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).