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

C10H17N3 — CID 130219181

IUPAC(3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC1=N[C@@H](C)C(C)=C2C[C@@H](N)CN12
InChIInChI=1S/C10H17N3/c1-6-7(2)12-8(3)13-5-9(11)4-10(6)13/h7,9H,4-5,11H2,1-3H3/t7-,9+/m0/s1
InChIKeyZRAKSOBSCGTQIG-IONNQARKSA-N
MW179.27 g/mol
LogP1.11
Rot. Bonds

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

(3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (PubChem CID 130219181) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.

Molecular Properties

Compound Name(3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
PubChem CID130219181
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC1=N[C@@H](C)C(C)=C2C[C@@H](N)CN12
InChIInChI=1S/C10H17N3/c1-6-7(2)12-8(3)13-5-9(11)4-10(6)13/h7,9H,4-5,11H2,1-3H3/t7-,9+/m0/s1
InChIKeyZRAKSOBSCGTQIG-IONNQARKSA-N
XLogP1.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The IUPAC name of (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (CID 130219181) is (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.
What is the SMILES notation for (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The canonical SMILES for (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is CC1=N[C@@H](C)C(C)=C2C[C@@H](N)CN12.
What is the InChIKey of (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The InChIKey is ZRAKSOBSCGTQIG-IONNQARKSA-N. The full InChI is InChI=1S/C10H17N3/c1-6-7(2)12-8(3)13-5-9(11)4-10(6)13/h7,9H,4-5,11H2,1-3H3/t7-,9+/m0/s1.
What are the key properties of (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
(3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine has a molecular weight of 179.27 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is sourced from PubChem (CID 130219181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).