6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C16H22N4O — CID 80948337

IUPAC6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)nc2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4O/c1-5-8-17-14-9-13(19-16(20-14)11(2)3)12-6-7-15(21-4)18-10-12/h6-7,9-11H,5,8H2,1-4H3,(H,17,19,20)
InChIKeyYSRFGNXRQCLMBU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.49
Rot. Bonds6

About 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80948337) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80948337
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)nc2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4O/c1-5-8-17-14-9-13(19-16(20-14)11(2)3)12-6-7-15(21-4)18-10-12/h6-7,9-11H,5,8H2,1-4H3,(H,17,19,20)
InChIKeyYSRFGNXRQCLMBU-UHFFFAOYSA-N
XLogP3.49
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769320
N-ethyl-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
CID 114938334
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80948337) is 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(OC)nc2)nc(C(C)C)n1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is YSRFGNXRQCLMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-8-17-14-9-13(19-16(20-14)11(2)3)12-6-7-15(21-4)18-10-12/h6-7,9-11H,5,8H2,1-4H3,(H,17,19,20).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80948337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).