CID 174109812

C17H21F2N4Si — CID 174109812

IUPAC—
SMILESCC(C)Nc1nc(C(F)F)cc2cnc(NC3CC[C@H]([Si])C3)cc12
InChIInChI=1S/C17H21F2N4Si/c1-9(2)21-17-13-7-15(22-11-3-4-12(24)6-11)20-8-10(13)5-14(23-17)16(18)19/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,20,22)(H,21,23)/t11?,12-/m0/s1
InChIKeyIUMYNRSPWATYDX-KIYNQFGBSA-N
MW347.47 g/mol
LogP4.31
Rot. Bonds5

About CID 174109812

CID 174109812 (PubChem CID 174109812) has the molecular formula C17H21F2N4Si and a molecular weight of 347.47 g/mol.

Molecular Properties

Compound NameCID 174109812
PubChem CID174109812
Molecular FormulaC17H21F2N4Si
Molecular Weight347.47 g/mol
Exact Mass347.15
IUPAC Name—
SMILESCC(C)Nc1nc(C(F)F)cc2cnc(NC3CC[C@H]([Si])C3)cc12
InChIInChI=1S/C17H21F2N4Si/c1-9(2)21-17-13-7-15(22-11-3-4-12(24)6-11)20-8-10(13)5-14(23-17)16(18)19/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,20,22)(H,21,23)/t11?,12-/m0/s1
InChIKeyIUMYNRSPWATYDX-KIYNQFGBSA-N
XLogP4.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine
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7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
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tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate
CID 170188357
(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 175907188
7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile
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N,3-di(propan-2-yl)-2,6-naphthyridin-1-amine
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CID 118329101
6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265760
1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 170188085
5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895
N-cyclopropyl-5-ethenyl-4-methylpyridin-2-amine
CID 102545750

Frequently Asked Questions

What is the IUPAC name of CID 174109812?
The IUPAC name of CID 174109812 (CID 174109812) is not available.
What is the SMILES notation for CID 174109812?
The canonical SMILES for CID 174109812 is CC(C)Nc1nc(C(F)F)cc2cnc(NC3CC[C@H]([Si])C3)cc12.
What is the InChIKey of CID 174109812?
The InChIKey is IUMYNRSPWATYDX-KIYNQFGBSA-N. The full InChI is InChI=1S/C17H21F2N4Si/c1-9(2)21-17-13-7-15(22-11-3-4-12(24)6-11)20-8-10(13)5-14(23-17)16(18)19/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,20,22)(H,21,23)/t11?,12-/m0/s1.
What are the key properties of CID 174109812?
CID 174109812 has a molecular weight of 347.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174109812 is sourced from PubChem (CID 174109812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).