9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine

C16H27N5 — CID 46881856

IUPAC9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCCCC3(C)C)C1
InChIInChI=1S/C16H27N5/c1-16(2)8-5-4-6-12-13(16)19-15(17)20-14(12)21-9-7-11(10-21)18-3/h11,18H,4-10H2,1-3H3,(H2,17,19,20)/t11-/m1/s1
InChIKeyWUZRMCQUGOWVCQ-LLVKDONJSA-N
MW289.43 g/mol
LogP1.86
Rot. Bonds2

About 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine

9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine (PubChem CID 46881856) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine
PubChem CID46881856
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCCCC3(C)C)C1
InChIInChI=1S/C16H27N5/c1-16(2)8-5-4-6-12-13(16)19-15(17)20-14(12)21-9-7-11(10-21)18-3/h11,18H,4-10H2,1-3H3,(H2,17,19,20)/t11-/m1/s1
InChIKeyWUZRMCQUGOWVCQ-LLVKDONJSA-N
XLogP1.86
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine?
The IUPAC name of 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine (CID 46881856) is 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine.
What is the SMILES notation for 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine?
The canonical SMILES for 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3c2CCCCC3(C)C)C1.
What is the InChIKey of 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine?
The InChIKey is WUZRMCQUGOWVCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H27N5/c1-16(2)8-5-4-6-12-13(16)19-15(17)20-14(12)21-9-7-11(10-21)18-3/h11,18H,4-10H2,1-3H3,(H2,17,19,20)/t11-/m1/s1.
What are the key properties of 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine?
9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-2-amine is sourced from PubChem (CID 46881856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).