2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C13H21N5O — CID 95127438

IUPAC2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCC1=NO[C@](C)(CNc2ncc(C)c(N(C)C)n2)C1
InChIInChI=1S/C13H21N5O/c1-9-7-14-12(16-11(9)18(4)5)15-8-13(3)6-10(2)17-19-13/h7H,6,8H2,1-5H3,(H,14,15,16)/t13-/m0/s1
InChIKeyRXQFWSZWUVWJTC-ZDUSSCGKSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds4

About 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 95127438) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID95127438
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCC1=NO[C@](C)(CNc2ncc(C)c(N(C)C)n2)C1
InChIInChI=1S/C13H21N5O/c1-9-7-14-12(16-11(9)18(4)5)15-8-13(3)6-10(2)17-19-13/h7H,6,8H2,1-5H3,(H,14,15,16)/t13-/m0/s1
InChIKeyRXQFWSZWUVWJTC-ZDUSSCGKSA-N
XLogP1.82
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 134700623
4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 135092417
2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 135108611
4-N,4-N,5-trimethyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 157018110
1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 175245235
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine
CID 135095968
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide
CID 134711398
N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide
CID 123867638

Frequently Asked Questions

What is the IUPAC name of 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 95127438) is 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is CC1=NO[C@](C)(CNc2ncc(C)c(N(C)C)n2)C1.
What is the InChIKey of 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is RXQFWSZWUVWJTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-7-14-12(16-11(9)18(4)5)15-8-13(3)6-10(2)17-19-13/h7H,6,8H2,1-5H3,(H,14,15,16)/t13-/m0/s1.
What are the key properties of 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 95127438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).