4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine

C12H17N5O2 — CID 155531333

IUPAC4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ncco1
InChIInChI=1S/C12H17N5O2/c1-2-3-4-15-11-9(7-16-12(13)17-11)19-8-10-14-5-6-18-10/h5-7H,2-4,8H2,1H3,(H3,13,15,16,17)
InChIKeyAXOVUQRXQUCADU-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.84
Rot. Bonds7

About 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine

4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine (PubChem CID 155531333) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine
PubChem CID155531333
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ncco1
InChIInChI=1S/C12H17N5O2/c1-2-3-4-15-11-9(7-16-12(13)17-11)19-8-10-14-5-6-18-10/h5-7H,2-4,8H2,1H3,(H3,13,15,16,17)
InChIKeyAXOVUQRXQUCADU-UHFFFAOYSA-N
XLogP1.84
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
4-(Pyrimidin-2-ylmethoxy)-1,3-oxazole
CID 18172101
N-(2-pyrimidin-5-yloxyethyl)-1,3-oxazol-2-amine
CID 53900899
5-iodo-N-(1,3-oxazol-2-ylmethyl)pyrimidin-2-amine
CID 153633617
2-[(2-Chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole
CID 165113601
2-[(2-Amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone
CID 167601114
N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine
CID 171833343
2-(1,3-Oxazol-2-yl)-5-propoxypyrimidin-4-amine
CID 175761701
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103761590
Methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate
CID 106373701
5-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
CID 106373777

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine (CID 155531333) is 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1OCc1ncco1.
What is the InChIKey of 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine?
The InChIKey is AXOVUQRXQUCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-3-4-15-11-9(7-16-12(13)17-11)19-8-10-14-5-6-18-10/h5-7H,2-4,8H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine?
4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine has a molecular weight of 263.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 155531333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).