N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine

C14H23ClN4Si — CID 59420175

IUPACN-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine
SMILESCC(C)[Si](C(C)C)(N(C)C)n1ccc2c(Cl)ncnc21
InChIInChI=1S/C14H23ClN4Si/c1-10(2)20(11(3)4,18(5)6)19-8-7-12-13(15)16-9-17-14(12)19/h7-11H,1-6H3
InChIKeyFVYGVGHTXRAWBB-UHFFFAOYSA-N
MW310.91 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine

N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine (PubChem CID 59420175) has the molecular formula C14H23ClN4Si and a molecular weight of 310.91 g/mol. Its IUPAC name is N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine
PubChem CID59420175
Molecular FormulaC14H23ClN4Si
Molecular Weight310.91 g/mol
Exact Mass310.14
IUPAC NameN-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine
SMILESCC(C)[Si](C(C)C)(N(C)C)n1ccc2c(Cl)ncnc21
InChIInChI=1S/C14H23ClN4Si/c1-10(2)20(11(3)4,18(5)6)19-8-7-12-13(15)16-9-17-14(12)19/h7-11H,1-6H3
InChIKeyFVYGVGHTXRAWBB-UHFFFAOYSA-N
XLogP3.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine?
The IUPAC name of N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine (CID 59420175) is N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine.
What is the SMILES notation for N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine?
The canonical SMILES for N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine is CC(C)[Si](C(C)C)(N(C)C)n1ccc2c(Cl)ncnc21.
What is the InChIKey of N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine?
The InChIKey is FVYGVGHTXRAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4Si/c1-10(2)20(11(3)4,18(5)6)19-8-7-12-13(15)16-9-17-14(12)19/h7-11H,1-6H3.
What are the key properties of N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine?
N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine has a molecular weight of 310.91 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine is sourced from PubChem (CID 59420175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).