5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine

C16H23N9O — CID 58508213

IUPAC5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCN1CCN(c2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H23N9O/c1-23-2-4-24(5-3-23)15-20-13(12-10-18-14(17)19-11-12)21-16(22-15)25-6-8-26-9-7-25/h10-11H,2-9H2,1H3,(H2,17,18,19)
InChIKeyJVBWUKGLADKAQN-UHFFFAOYSA-N
MW357.42 g/mol
LogP-0.50
Rot. Bonds3

About 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine

5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine (PubChem CID 58508213) has the molecular formula C16H23N9O and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
PubChem CID58508213
Molecular FormulaC16H23N9O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCN1CCN(c2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H23N9O/c1-23-2-4-24(5-3-23)15-20-13(12-10-18-14(17)19-11-12)21-16(22-15)25-6-8-26-9-7-25/h10-11H,2-9H2,1H3,(H2,17,18,19)
InChIKeyJVBWUKGLADKAQN-UHFFFAOYSA-N
XLogP-0.50
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine (CID 58508213) is 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine is CN1CCN(c2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The InChIKey is JVBWUKGLADKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N9O/c1-23-2-4-24(5-3-23)15-20-13(12-10-18-14(17)19-11-12)21-16(22-15)25-6-8-26-9-7-25/h10-11H,2-9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine has a molecular weight of 357.42 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 58508213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).