4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine

C12H18ClN5O — CID 137453914

IUPAC4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(NCC2CC2)n1
InChIInChI=1S/C12H18ClN5O/c1-8-7-19-5-4-18(8)12-16-10(13)15-11(17-12)14-6-9-2-3-9/h8-9H,2-7H2,1H3,(H,14,15,16,17)/t8-/m1/s1
InChIKeyJNTFYPLTXASAEP-MRVPVSSYSA-N
MW283.76 g/mol
LogP1.57
Rot. Bonds4

About 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine

4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine (PubChem CID 137453914) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
PubChem CID137453914
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(NCC2CC2)n1
InChIInChI=1S/C12H18ClN5O/c1-8-7-19-5-4-18(8)12-16-10(13)15-11(17-12)14-6-9-2-3-9/h8-9H,2-7H2,1H3,(H,14,15,16,17)/t8-/m1/s1
InChIKeyJNTFYPLTXASAEP-MRVPVSSYSA-N
XLogP1.57
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine (CID 137453914) is 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine is C[C@@H]1COCCN1c1nc(Cl)nc(NCC2CC2)n1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine?
The InChIKey is JNTFYPLTXASAEP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-8-7-19-5-4-18(8)12-16-10(13)15-11(17-12)14-6-9-2-3-9/h8-9H,2-7H2,1H3,(H,14,15,16,17)/t8-/m1/s1.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine?
4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 137453914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).