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

C12H21N3 — CID 130219119

IUPAC(3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC1=N[C@@H](C)C(C)=C2C[C@@H](N(C)C)CN12
InChIInChI=1S/C12H21N3/c1-8-9(2)13-10(3)15-7-11(14(4)5)6-12(8)15/h9,11H,6-7H2,1-5H3/t9-,11+/m0/s1
InChIKeyHNNLLAMXDZCAOJ-GXSJLCMTSA-N
MW207.32 g/mol
LogP1.72
Rot. Bonds1

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

(3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (PubChem CID 130219119) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.

Molecular Properties

Compound Name(3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
PubChem CID130219119
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC1=N[C@@H](C)C(C)=C2C[C@@H](N(C)C)CN12
InChIInChI=1S/C12H21N3/c1-8-9(2)13-10(3)15-7-11(14(4)5)6-12(8)15/h9,11H,6-7H2,1-5H3/t9-,11+/m0/s1
InChIKeyHNNLLAMXDZCAOJ-GXSJLCMTSA-N
XLogP1.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The IUPAC name of (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (CID 130219119) is (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.
What is the SMILES notation for (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The canonical SMILES for (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is CC1=N[C@@H](C)C(C)=C2C[C@@H](N(C)C)CN12.
What is the InChIKey of (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The InChIKey is HNNLLAMXDZCAOJ-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-9(2)13-10(3)15-7-11(14(4)5)6-12(8)15/h9,11H,6-7H2,1-5H3/t9-,11+/m0/s1.
What are the key properties of (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
(3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine has a molecular weight of 207.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N,N,1,3,4-pentamethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is sourced from PubChem (CID 130219119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).