(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine

C22H30N4 — CID 67247216

IUPAC(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CC[C@@H](N)C4)n3)ccc21
InChIInChI=1S/C22H30N4/c1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-7-11-24-20(25-19)26-12-8-16(23)14-26/h5-7,11,13,16H,8-10,12,14,23H2,1-4H3/t16-/m1/s1
InChIKeyWCJZMSGKRYVEMA-MRXNPFEDSA-N
MW350.51 g/mol
LogP4.03
Rot. Bonds2

About (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine

(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 67247216) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID67247216
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CC[C@@H](N)C4)n3)ccc21
InChIInChI=1S/C22H30N4/c1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-7-11-24-20(25-19)26-12-8-16(23)14-26/h5-7,11,13,16H,8-10,12,14,23H2,1-4H3/t16-/m1/s1
InChIKeyWCJZMSGKRYVEMA-MRXNPFEDSA-N
XLogP4.03
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 67247216) is (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine is CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CC[C@@H](N)C4)n3)ccc21.
What is the InChIKey of (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is WCJZMSGKRYVEMA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N4/c1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-7-11-24-20(25-19)26-12-8-16(23)14-26/h5-7,11,13,16H,8-10,12,14,23H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 350.51 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 67247216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).