2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

C16H22N4O — CID 80845580

IUPAC2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCCc2ccccn2)c1C
InChIInChI=1S/C16H22N4O/c1-4-9-18-15-12(2)16(20-13(3)19-15)21-11-8-14-7-5-6-10-17-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19,20)
InChIKeyNPTATVLKVQZANX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.93
Rot. Bonds7

About 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 80845580) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID80845580
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCCc2ccccn2)c1C
InChIInChI=1S/C16H22N4O/c1-4-9-18-15-12(2)16(20-13(3)19-15)21-11-8-14-7-5-6-10-17-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19,20)
InChIKeyNPTATVLKVQZANX-UHFFFAOYSA-N
XLogP2.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80865448
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865514
6-(cyclopropylmethoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865799
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80846370
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765776
2-methyl-N-propylpyrido[3,2-d]pyrimidin-4-amine
CID 140944597

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 80845580) is 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is CCCNc1nc(C)nc(OCCc2ccccn2)c1C.
What is the InChIKey of 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is NPTATVLKVQZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-9-18-15-12(2)16(20-13(3)19-15)21-11-8-14-7-5-6-10-17-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19,20).
What are the key properties of 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80845580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).