6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile

C19H23N7 — CID 90466128

IUPAC6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile
SMILESC[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C#N)n2)n1)C1CC1
InChIInChI=1S/C19H23N7/c1-11(13-6-7-13)21-18-24-17(16-5-3-4-15(10-20)23-16)25-19(26-18)22-12(2)14-8-9-14/h3-5,11-14H,6-9H2,1-2H3,(H2,21,22,24,25,26)/t11-,12-/m1/s1
InChIKeyBOOMYPYTFNGPNE-VXGBXAGGSA-N
MW349.44 g/mol
LogP3.23
Rot. Bonds7

About 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile

6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile (PubChem CID 90466128) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile
PubChem CID90466128
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile
SMILESC[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C#N)n2)n1)C1CC1
InChIInChI=1S/C19H23N7/c1-11(13-6-7-13)21-18-24-17(16-5-3-4-15(10-20)23-16)25-19(26-18)22-12(2)14-8-9-14/h3-5,11-14H,6-9H2,1-2H3,(H2,21,22,24,25,26)/t11-,12-/m1/s1
InChIKeyBOOMYPYTFNGPNE-VXGBXAGGSA-N
XLogP3.23
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817076
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 86580656
2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466272
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466415
6-(6-chloropyridin-2-yl)-N2,N4-bis ((R)-1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
CID 117799064
2-N,4-N-bis(cyclopropylmethyl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817069
6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine
CID 117817125
N2,N4-bis((R)-1-cyclopropylethyl)-6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine
CID 117817412
6-(6-aminopyridin-2-yl)-N2,N4-bis((R)-1-cyclopropyl ethyl)-1,3,5-triazine-2,4-diamine
CID 117817474
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817521
N2,N4-bis((R)-1-cyclopropylethyl)-6-(6-vinylpyridin-2-yl)-1,3,5-triazine-2,4-diamine
CID 90466127
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(difluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466129

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile (CID 90466128) is 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile is C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C#N)n2)n1)C1CC1.
What is the InChIKey of 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile?
The InChIKey is BOOMYPYTFNGPNE-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H23N7/c1-11(13-6-7-13)21-18-24-17(16-5-3-4-15(10-20)23-16)25-19(26-18)22-12(2)14-8-9-14/h3-5,11-14H,6-9H2,1-2H3,(H2,21,22,24,25,26)/t11-,12-/m1/s1.
What are the key properties of 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile?
6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 90466128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).