N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C13H22N4O — CID 112856719

IUPACN-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOCCNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-11-4-3-6-17(9-11)13-8-12(15-10-16-13)14-5-7-18-2/h8,10-11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyTXJMQJFYRWBPAG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds5

About N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856719) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856719
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOCCNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-11-4-3-6-17(9-11)13-8-12(15-10-16-13)14-5-7-18-2/h8,10-11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyTXJMQJFYRWBPAG-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.77
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-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133459927
tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
CID 133299291
N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133324617
4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112856656
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856693
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856719) is N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is COCCNc1cc(N2CCCC(C)C2)ncn1.
What is the InChIKey of N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is TXJMQJFYRWBPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-4-3-6-17(9-11)13-8-12(15-10-16-13)14-5-7-18-2/h8,10-11H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).