6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine

C14H22ClN5 — CID 135243425

IUPAC6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(Cl)nc(NC(C)(C)C2CC2)n1)C1CC1
InChIInChI=1S/C14H22ClN5/c1-8(9-4-5-9)16-12-17-11(15)18-13(19-12)20-14(2,3)10-6-7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18,19,20)/t8-/m1/s1
InChIKeyIUOREPPJSXDDQO-MRVPVSSYSA-N
MW295.82 g/mol
LogP3.34
Rot. Bonds6

About 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 135243425) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID135243425
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(Cl)nc(NC(C)(C)C2CC2)n1)C1CC1
InChIInChI=1S/C14H22ClN5/c1-8(9-4-5-9)16-12-17-11(15)18-13(19-12)20-14(2,3)10-6-7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18,19,20)/t8-/m1/s1
InChIKeyIUOREPPJSXDDQO-MRVPVSSYSA-N
XLogP3.34
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 135243425) is 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine is C[C@@H](Nc1nc(Cl)nc(NC(C)(C)C2CC2)n1)C1CC1.
What is the InChIKey of 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IUOREPPJSXDDQO-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-8(9-4-5-9)16-12-17-11(15)18-13(19-12)20-14(2,3)10-6-7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18,19,20)/t8-/m1/s1.
What are the key properties of 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.82 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 135243425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).