(4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane

C7H10N3P — CID 137301368

IUPAC(4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane
SMILESCC1=NCNc2c1ccn2P
InChIInChI=1S/C7H10N3P/c1-5-6-2-3-10(11)7(6)9-4-8-5/h2-3,9H,4,11H2,1H3
InChIKeyWXHYNRYIFHFMAC-UHFFFAOYSA-N
MW167.15 g/mol
LogP1.32
Rot. Bonds

About (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane

(4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane (PubChem CID 137301368) has the molecular formula C7H10N3P and a molecular weight of 167.15 g/mol. Its IUPAC name is (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane.

Molecular Properties

Compound Name(4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane
PubChem CID137301368
Molecular FormulaC7H10N3P
Molecular Weight167.15 g/mol
Exact Mass167.06
IUPAC Name(4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane
SMILESCC1=NCNc2c1ccn2P
InChIInChI=1S/C7H10N3P/c1-5-6-2-3-10(11)7(6)9-4-8-5/h2-3,9H,4,11H2,1H3
InChIKeyWXHYNRYIFHFMAC-UHFFFAOYSA-N
XLogP1.32
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane?
The IUPAC name of (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane (CID 137301368) is (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane.
What is the SMILES notation for (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane?
The canonical SMILES for (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane is CC1=NCNc2c1ccn2P.
What is the InChIKey of (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane?
The InChIKey is WXHYNRYIFHFMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N3P/c1-5-6-2-3-10(11)7(6)9-4-8-5/h2-3,9H,4,11H2,1H3.
What are the key properties of (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane?
(4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane has a molecular weight of 167.15 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl)phosphane is sourced from PubChem (CID 137301368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).