(3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine

C9H17N3 — CID 18407487

IUPAC(3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine
SMILESCC1(CN)CN=C2CCCN2C1
InChIInChI=1S/C9H17N3/c1-9(5-10)6-11-8-3-2-4-12(8)7-9/h2-7,10H2,1H3
InChIKeyDWWDCEIXHSHJCO-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.46
Rot. Bonds1

About (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine

(3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine (PubChem CID 18407487) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine
PubChem CID18407487
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine
SMILESCC1(CN)CN=C2CCCN2C1
InChIInChI=1S/C9H17N3/c1-9(5-10)6-11-8-3-2-4-12(8)7-9/h2-7,10H2,1H3
InChIKeyDWWDCEIXHSHJCO-UHFFFAOYSA-N
XLogP0.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine?
The IUPAC name of (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine (CID 18407487) is (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine.
What is the SMILES notation for (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine?
The canonical SMILES for (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine is CC1(CN)CN=C2CCCN2C1.
What is the InChIKey of (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine?
The InChIKey is DWWDCEIXHSHJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(5-10)6-11-8-3-2-4-12(8)7-9/h2-7,10H2,1H3.
What are the key properties of (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine?
(3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine has a molecular weight of 167.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-3-yl)methanamine is sourced from PubChem (CID 18407487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).