4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine

C12H15N5O — CID 80881143

IUPAC4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2cccnc2)nc(N)n1
InChIInChI=1S/C12H15N5O/c1-2-5-15-10-7-11(17-12(13)16-10)18-9-4-3-6-14-8-9/h3-4,6-8H,2,5H2,1H3,(H3,13,15,16,17)
InChIKeyQKLDSCGIAUXNRA-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.07
Rot. Bonds5

About 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine

4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine (PubChem CID 80881143) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
PubChem CID80881143
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2cccnc2)nc(N)n1
InChIInChI=1S/C12H15N5O/c1-2-5-15-10-7-11(17-12(13)16-10)18-9-4-3-6-14-8-9/h3-4,6-8H,2,5H2,1H3,(H3,13,15,16,17)
InChIKeyQKLDSCGIAUXNRA-UHFFFAOYSA-N
XLogP2.07
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
CID 116805934
6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
CID 47159152
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674

Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine (CID 80881143) is 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine is CCCNc1cc(Oc2cccnc2)nc(N)n1.
What is the InChIKey of 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine?
The InChIKey is QKLDSCGIAUXNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-5-15-10-7-11(17-12(13)16-10)18-9-4-3-6-14-8-9/h3-4,6-8H,2,5H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine?
4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine has a molecular weight of 245.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 80881143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).