[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol

C19H25N5O — CID 126624883

IUPAC[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESC[C@@H](Nc1nc(NCC2CC2)nc(-c2cccc(CO)c2)n1)C1CC1
InChIInChI=1S/C19H25N5O/c1-12(15-7-8-15)21-19-23-17(16-4-2-3-14(9-16)11-25)22-18(24-19)20-10-13-5-6-13/h2-4,9,12-13,15,25H,5-8,10-11H2,1H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyBCPOZHTXBKOIMX-GFCCVEGCSA-N
MW339.44 g/mol
LogP3.06
Rot. Bonds8

About [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol

[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 126624883) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID126624883
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESC[C@@H](Nc1nc(NCC2CC2)nc(-c2cccc(CO)c2)n1)C1CC1
InChIInChI=1S/C19H25N5O/c1-12(15-7-8-15)21-19-23-17(16-4-2-3-14(9-16)11-25)22-18(24-19)20-10-13-5-6-13/h2-4,9,12-13,15,25H,5-8,10-11H2,1H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyBCPOZHTXBKOIMX-GFCCVEGCSA-N
XLogP3.06
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol (CID 126624883) is [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol is C[C@@H](Nc1nc(NCC2CC2)nc(-c2cccc(CO)c2)n1)C1CC1.
What is the InChIKey of [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is BCPOZHTXBKOIMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12(15-7-8-15)21-19-23-17(16-4-2-3-14(9-16)11-25)22-18(24-19)20-10-13-5-6-13/h2-4,9,12-13,15,25H,5-8,10-11H2,1H3,(H2,20,21,22,23,24)/t12-/m1/s1.
What are the key properties of [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 339.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 126624883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).