6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine

C16H21N5O — CID 70928517

IUPAC6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N[C@]2(C)CCOc3c2ccc(C)c3C)n1
InChIInChI=1S/C16H21N5O/c1-9-5-6-12-13(10(9)2)22-8-7-16(12,4)21-15-19-11(3)18-14(17)20-15/h5-6H,7-8H2,1-4H3,(H3,17,18,19,20,21)/t16-/m1/s1
InChIKeyHPVHIAMDWVHLQL-MRXNPFEDSA-N
MW299.38 g/mol
LogP2.49
Rot. Bonds2

About 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 70928517) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID70928517
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N[C@]2(C)CCOc3c2ccc(C)c3C)n1
InChIInChI=1S/C16H21N5O/c1-9-5-6-12-13(10(9)2)22-8-7-16(12,4)21-15-19-11(3)18-14(17)20-15/h5-6H,7-8H2,1-4H3,(H3,17,18,19,20,21)/t16-/m1/s1
InChIKeyHPVHIAMDWVHLQL-MRXNPFEDSA-N
XLogP2.49
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine (CID 70928517) is 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(N[C@]2(C)CCOc3c2ccc(C)c3C)n1.
What is the InChIKey of 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HPVHIAMDWVHLQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N5O/c1-9-5-6-12-13(10(9)2)22-8-7-16(12,4)21-15-19-11(3)18-14(17)20-15/h5-6H,7-8H2,1-4H3,(H3,17,18,19,20,21)/t16-/m1/s1.
What are the key properties of 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70928517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).