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

C9H15N3 — CID 135159505

IUPAC(6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC1=NCC(C)=C2C[C@H](N)CN12
InChIInChI=1S/C9H15N3/c1-6-4-11-7(2)12-5-8(10)3-9(6)12/h8H,3-5,10H2,1-2H3/t8-/m0/s1
InChIKeyHEUGATGOLAQRLE-QMMMGPOBSA-N
MW165.24 g/mol
LogP0.73
Rot. Bonds

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

(6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (PubChem CID 135159505) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.

Molecular Properties

Compound Name(6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
PubChem CID135159505
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILESCC1=NCC(C)=C2C[C@H](N)CN12
InChIInChI=1S/C9H15N3/c1-6-4-11-7(2)12-5-8(10)3-9(6)12/h8H,3-5,10H2,1-2H3/t8-/m0/s1
InChIKeyHEUGATGOLAQRLE-QMMMGPOBSA-N
XLogP0.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The IUPAC name of (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (CID 135159505) is (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.
What is the SMILES notation for (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The canonical SMILES for (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is CC1=NCC(C)=C2C[C@H](N)CN12.
What is the InChIKey of (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
The InChIKey is HEUGATGOLAQRLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-4-11-7(2)12-5-8(10)3-9(6)12/h8H,3-5,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?
(6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine has a molecular weight of 165.24 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is sourced from PubChem (CID 135159505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).