(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate

C14H15N5O3 — CID 9381650

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate
SMILESNc1nc(N)nc(COC(=O)[C@H]2COc3ccccc3C2)n1
InChIInChI=1S/C14H15N5O3/c15-13-17-11(18-14(16)19-13)7-22-12(20)9-5-8-3-1-2-4-10(8)21-6-9/h1-4,9H,5-7H2,(H4,15,16,17,18,19)/t9-/m1/s1
InChIKeyXFWMPGJUILJSOX-SECBINFHSA-N
MW301.31 g/mol
LogP0.33
Rot. Bonds3

About (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate

(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 9381650) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID9381650
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate
SMILESNc1nc(N)nc(COC(=O)[C@H]2COc3ccccc3C2)n1
InChIInChI=1S/C14H15N5O3/c15-13-17-11(18-14(16)19-13)7-22-12(20)9-5-8-3-1-2-4-10(8)21-6-9/h1-4,9H,5-7H2,(H4,15,16,17,18,19)/t9-/m1/s1
InChIKeyXFWMPGJUILJSOX-SECBINFHSA-N
XLogP0.33
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8647537
(4,6-diamino-1,3,5-triazin-2-yl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8647535
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
(2-cyanophenyl)methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 42920781
cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55429666
[3-(trifluoromethyl)phenyl]methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55441675
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
(4-chlorophenyl) 3,4-dihydro-2H-chromene-3-carboxylate
CID 47120395
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 65407017
[2-(3,4-dimethylphenyl)-2-oxoethyl] (3S)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381608
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46638836

Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate (CID 9381650) is (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate is Nc1nc(N)nc(COC(=O)[C@H]2COc3ccccc3C2)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is XFWMPGJUILJSOX-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N5O3/c15-13-17-11(18-14(16)19-13)7-22-12(20)9-5-8-3-1-2-4-10(8)21-6-9/h1-4,9H,5-7H2,(H4,15,16,17,18,19)/t9-/m1/s1.
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 301.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 9381650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).