N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C16H25N5 — CID 58227148

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1
InChIInChI=1S/C16H25N5/c1-17-13-5-7-21(10-13)15-4-6-18-16(20-15)19-14-9-11-2-3-12(14)8-11/h4,6,11-14,17H,2-3,5,7-10H2,1H3,(H,18,19,20)/t11?,12?,13-,14?/m1/s1
InChIKeyNZJVXVCSPDDULP-WCFLAILDSA-N
MW287.41 g/mol
LogP1.88
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 58227148) 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-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID58227148
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1
InChIInChI=1S/C16H25N5/c1-17-13-5-7-21(10-13)15-4-6-18-16(20-15)19-14-9-11-2-3-12(14)8-11/h4,6,11-14,17H,2-3,5,7-10H2,1H3,(H,18,19,20)/t11?,12?,13-,14?/m1/s1
InChIKeyNZJVXVCSPDDULP-WCFLAILDSA-N
XLogP1.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 58227148) is N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is NZJVXVCSPDDULP-WCFLAILDSA-N. The full InChI is InChI=1S/C16H25N5/c1-17-13-5-7-21(10-13)15-4-6-18-16(20-15)19-14-9-11-2-3-12(14)8-11/h4,6,11-14,17H,2-3,5,7-10H2,1H3,(H,18,19,20)/t11?,12?,13-,14?/m1/s1.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 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-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 58227148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).