(3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine

C15H27N3 — CID 130219121

IUPAC(3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC(C)C1=C2C[C@H](N)CN2C(C(C)(C)C)=N[C@H]1C
InChIInChI=1S/C15H27N3/c1-9(2)13-10(3)17-14(15(4,5)6)18-8-11(16)7-12(13)18/h9-11H,7-8,16H2,1-6H3/t10-,11-/m0/s1
InChIKeyHWRFYMFWNBJVDL-QWRGUYRKSA-N
MW249.40 g/mol
LogP2.78
Rot. Bonds1

About (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine

(3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (PubChem CID 130219121) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.

Molecular Properties

Compound Name(3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
PubChem CID130219121
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC(C)C1=C2C[C@H](N)CN2C(C(C)(C)C)=N[C@H]1C
InChIInChI=1S/C15H27N3/c1-9(2)13-10(3)17-14(15(4,5)6)18-8-11(16)7-12(13)18/h9-11H,7-8,16H2,1-6H3/t10-,11-/m0/s1
InChIKeyHWRFYMFWNBJVDL-QWRGUYRKSA-N
XLogP2.78
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The IUPAC name of (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (CID 130219121) is (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.
What is the SMILES notation for (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The canonical SMILES for (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is CC(C)C1=C2C[C@H](N)CN2C(C(C)(C)C)=N[C@H]1C.
What is the InChIKey of (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The InChIKey is HWRFYMFWNBJVDL-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H27N3/c1-9(2)13-10(3)17-14(15(4,5)6)18-8-11(16)7-12(13)18/h9-11H,7-8,16H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
(3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine has a molecular weight of 249.40 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-tert-butyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is sourced from PubChem (CID 130219121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).