6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C16H22N4O2 — CID 82454499

IUPAC6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccccn2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-12(2)16-19-14(10-15(20-16)22-9-8-21-3)18-11-13-6-4-5-7-17-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,18,19,20)
InChIKeyQQIXBUNMPIPRMG-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.63
Rot. Bonds8

About 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 82454499) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID82454499
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccccn2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-12(2)16-19-14(10-15(20-16)22-9-8-21-3)18-11-13-6-4-5-7-17-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,18,19,20)
InChIKeyQQIXBUNMPIPRMG-UHFFFAOYSA-N
XLogP2.63
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454039
6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
CID 66287616
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
CID 106669036
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458125
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 82454499) is 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is COCCOc1cc(NCc2ccccn2)nc(C(C)C)n1.
What is the InChIKey of 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QQIXBUNMPIPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)16-19-14(10-15(20-16)22-9-8-21-3)18-11-13-6-4-5-7-17-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).