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

C16H29N3 — CID 130208868

IUPAC(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESC[C@@H]1N=C(C(C)(C)C)N2C[C@H](N)CC2=C1C(C)(C)C
InChIInChI=1S/C16H29N3/c1-10-13(15(2,3)4)12-8-11(17)9-19(12)14(18-10)16(5,6)7/h10-11H,8-9,17H2,1-7H3/t10-,11+/m0/s1
InChIKeyHHWWDTQSJIFNGC-WDEREUQCSA-N
MW263.43 g/mol
LogP3.17
Rot. Bonds

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

(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (PubChem CID 130208868) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.

Molecular Properties

Compound Name(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
PubChem CID130208868
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESC[C@@H]1N=C(C(C)(C)C)N2C[C@H](N)CC2=C1C(C)(C)C
InChIInChI=1S/C16H29N3/c1-10-13(15(2,3)4)12-8-11(17)9-19(12)14(18-10)16(5,6)7/h10-11H,8-9,17H2,1-7H3/t10-,11+/m0/s1
InChIKeyHHWWDTQSJIFNGC-WDEREUQCSA-N
XLogP3.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The IUPAC name of (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (CID 130208868) is (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.
What is the SMILES notation for (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The canonical SMILES for (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is C[C@@H]1N=C(C(C)(C)C)N2C[C@H](N)CC2=C1C(C)(C)C.
What is the InChIKey of (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The InChIKey is HHWWDTQSJIFNGC-WDEREUQCSA-N. The full InChI is InChI=1S/C16H29N3/c1-10-13(15(2,3)4)12-8-11(17)9-19(12)14(18-10)16(5,6)7/h10-11H,8-9,17H2,1-7H3/t10-,11+/m0/s1.
What are the key properties of (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine has a molecular weight of 263.43 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is sourced from PubChem (CID 130208868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).