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

C14H21N5O — CID 50969390

IUPAC2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cc(C(C)C)on2)nc(N(C)C)n1
InChIInChI=1S/C14H21N5O/c1-9(2)12-7-11(18-20-12)8-15-13-6-10(3)16-14(17-13)19(4)5/h6-7,9H,8H2,1-5H3,(H,15,16,17)
InChIKeyZFRYQKWRAPUROA-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.57
Rot. Bonds5

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

2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 50969390) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID50969390
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cc(C(C)C)on2)nc(N(C)C)n1
InChIInChI=1S/C14H21N5O/c1-9(2)12-7-11(18-20-12)8-15-13-6-10(3)16-14(17-13)19(4)5/h6-7,9H,8H2,1-5H3,(H,15,16,17)
InChIKeyZFRYQKWRAPUROA-UHFFFAOYSA-N
XLogP2.57
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 50969390) is 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(NCc2cc(C(C)C)on2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZFRYQKWRAPUROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9(2)12-7-11(18-20-12)8-15-13-6-10(3)16-14(17-13)19(4)5/h6-7,9H,8H2,1-5H3,(H,15,16,17).
What are the key properties of 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-trimethyl-4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50969390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).