N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine

C13H22N4O2 — CID 107174242

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
SMILESCOc1cc(OC)nc(N(C)C2CCCNCC2)n1
InChIInChI=1S/C13H22N4O2/c1-17(10-5-4-7-14-8-6-10)13-15-11(18-2)9-12(16-13)19-3/h9-10,14H,4-8H2,1-3H3
InChIKeyKIYFDUKMCUJEQI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.07
Rot. Bonds4

About N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine

N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine (PubChem CID 107174242) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
PubChem CID107174242
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
SMILESCOc1cc(OC)nc(N(C)C2CCCNCC2)n1
InChIInChI=1S/C13H22N4O2/c1-17(10-5-4-7-14-8-6-10)13-15-11(18-2)9-12(16-13)19-3/h9-10,14H,4-8H2,1-3H3
InChIKeyKIYFDUKMCUJEQI-UHFFFAOYSA-N
XLogP1.07
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4,6-Dimethoxy-2-piperidin-4-ylpyrimidine
CID 2761142
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577443
4-(4-aminobutoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 44577447
1-Azepan-1-yl-3-[(6-methoxypyrimidin-4-yl)amino]propan-2-ol
CID 50980830
N-Cyclohexyl-4-fluoro-6-methoxy-2-pyrimidinamine
CID 14717234
6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 39818605
N-({1-[Ethyl(methyl)amino]cyclopentyl}methyl)-4,6-dimethoxypyrimidin-2-amine
CID 122562983

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine (CID 107174242) is N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine is COc1cc(OC)nc(N(C)C2CCCNCC2)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine?
The InChIKey is KIYFDUKMCUJEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17(10-5-4-7-14-8-6-10)13-15-11(18-2)9-12(16-13)19-3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine?
N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine has a molecular weight of 266.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine is sourced from PubChem (CID 107174242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).