6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine

C12H15N5O — CID 19145475

IUPAC6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2cccnc2)c1N
InChIInChI=1S/C12H15N5O/c1-8(2)18-12-10(13)11(15-7-16-12)17-9-4-3-5-14-6-9/h3-8H,13H2,1-2H3,(H,15,16,17)
InChIKeyVTXHZWHUASHTQQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.98
Rot. Bonds4

About 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine

6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine (PubChem CID 19145475) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
PubChem CID19145475
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2cccnc2)c1N
InChIInChI=1S/C12H15N5O/c1-8(2)18-12-10(13)11(15-7-16-12)17-9-4-3-5-14-6-9/h3-8H,13H2,1-2H3,(H,15,16,17)
InChIKeyVTXHZWHUASHTQQ-UHFFFAOYSA-N
XLogP1.98
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
6-(2,2-diphenylhydrazinyl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145412
4-N-(5-methyl-2-pyridinyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145493
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-N-(3-bromo-5-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 107581915
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104775547
4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 114954606
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 82859543

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine (CID 19145475) is 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine is CC(C)Oc1ncnc(Nc2cccnc2)c1N.
What is the InChIKey of 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
The InChIKey is VTXHZWHUASHTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(2)18-12-10(13)11(15-7-16-12)17-9-4-3-5-14-6-9/h3-8H,13H2,1-2H3,(H,15,16,17).
What are the key properties of 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine has a molecular weight of 245.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19145475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).