N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane

C21H26N6OS — CID 162215068

IUPACN-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
SMILESCCNc1ccc(-c2cc(NC[C@@H](C)c3ccnc4c3OCC4)ncn2)cn1.S
InChIInChI=1S/C21H24N6O.H2S/c1-3-22-19-5-4-15(12-25-19)18-10-20(27-13-26-18)24-11-14(2)16-6-8-23-17-7-9-28-21(16)17;/h4-6,8,10,12-14H,3,7,9,11H2,1-2H3,(H,22,25)(H,24,26,27);1H2/t14-;/m1./s1
InChIKeyZTIURUMEMFEXKO-PFEQFJNWSA-N
MW410.55 g/mol
LogP3.63
Rot. Bonds7

About N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane

N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane (PubChem CID 162215068) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
PubChem CID162215068
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC NameN-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
SMILESCCNc1ccc(-c2cc(NC[C@@H](C)c3ccnc4c3OCC4)ncn2)cn1.S
InChIInChI=1S/C21H24N6O.H2S/c1-3-22-19-5-4-15(12-25-19)18-10-20(27-13-26-18)24-11-14(2)16-6-8-23-17-7-9-28-21(16)17;/h4-6,8,10,12-14H,3,7,9,11H2,1-2H3,(H,22,25)(H,24,26,27);1H2/t14-;/m1./s1
InChIKeyZTIURUMEMFEXKO-PFEQFJNWSA-N
XLogP3.63
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane?
The IUPAC name of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane (CID 162215068) is N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane.
What is the SMILES notation for N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane?
The canonical SMILES for N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane is CCNc1ccc(-c2cc(NC[C@@H](C)c3ccnc4c3OCC4)ncn2)cn1.S.
What is the InChIKey of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane?
The InChIKey is ZTIURUMEMFEXKO-PFEQFJNWSA-N. The full InChI is InChI=1S/C21H24N6O.H2S/c1-3-22-19-5-4-15(12-25-19)18-10-20(27-13-26-18)24-11-14(2)16-6-8-23-17-7-9-28-21(16)17;/h4-6,8,10,12-14H,3,7,9,11H2,1-2H3,(H,22,25)(H,24,26,27);1H2/t14-;/m1./s1.
What are the key properties of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane?
N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane has a molecular weight of 410.55 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane is sourced from PubChem (CID 162215068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).