N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C16H25N5 — CID 58227260

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1
InChIInChI=1S/C16H25N5/c1-20-6-8-21(9-7-20)15-4-5-17-16(19-15)18-14-11-12-2-3-13(14)10-12/h4-5,12-14H,2-3,6-11H2,1H3,(H,17,18,19)
InChIKeyIVFQODBYXHLMLR-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.83
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 58227260) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID58227260
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1
InChIInChI=1S/C16H25N5/c1-20-6-8-21(9-7-20)15-4-5-17-16(19-15)18-14-11-12-2-3-13(14)10-12/h4-5,12-14H,2-3,6-11H2,1H3,(H,17,18,19)
InChIKeyIVFQODBYXHLMLR-UHFFFAOYSA-N
XLogP1.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 58227260) is N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2ccnc(NC3CC4CCC3C4)n2)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is IVFQODBYXHLMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-20-6-8-21(9-7-20)15-4-5-17-16(19-15)18-14-11-12-2-3-13(14)10-12/h4-5,12-14H,2-3,6-11H2,1H3,(H,17,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 58227260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).