2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine

C14H19N5O — CID 80958301

IUPAC2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cc(C)on2)nc(C2CC2)n1
InChIInChI=1S/C14H19N5O/c1-3-15-12-7-13(18-14(17-12)10-4-5-10)16-8-11-6-9(2)20-19-11/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyJDJDWEMTXPCBJT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.69
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80958301) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80958301
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cc(C)on2)nc(C2CC2)n1
InChIInChI=1S/C14H19N5O/c1-3-15-12-7-13(18-14(17-12)10-4-5-10)16-8-11-6-9(2)20-19-11/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyJDJDWEMTXPCBJT-UHFFFAOYSA-N
XLogP2.69
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394
6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80903751
6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80812986
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
CID 104924020
2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80963831
2-cyclopropyl-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80964428
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 80958301) is 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCc2cc(C)on2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is JDJDWEMTXPCBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-15-12-7-13(18-14(17-12)10-4-5-10)16-8-11-6-9(2)20-19-11/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80958301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).