N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine

C14H20N6OS — CID 94032387

IUPACN-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine
SMILESc1nc(NC[C@]2(N3CCOCC3)CCSC2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6OS/c1-6-22-8-14(1,20-2-4-21-5-3-20)7-15-12-11-13(17-9-16-11)19-10-18-12/h9-10H,1-8H2,(H2,15,16,17,18,19)/t14-/m1/s1
InChIKeyGOKVBFHSKUPHJA-CQSZACIVSA-N
MW320.42 g/mol
LogP0.97
Rot. Bonds4

About N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine

N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine (PubChem CID 94032387) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine
PubChem CID94032387
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine
SMILESc1nc(NC[C@]2(N3CCOCC3)CCSC2)c2[nH]cnc2n1
InChIInChI=1S/C14H20N6OS/c1-6-22-8-14(1,20-2-4-21-5-3-20)7-15-12-11-13(17-9-16-11)19-10-18-12/h9-10H,1-8H2,(H2,15,16,17,18,19)/t14-/m1/s1
InChIKeyGOKVBFHSKUPHJA-CQSZACIVSA-N
XLogP0.97
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-bromo-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinazolin-4-amine
CID 87021044
N-[(4-fluorooxan-4-yl)methyl]-7H-purin-6-amine
CID 171674081
4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
CID 78871065
N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
CID 108773228
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762
N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
CID 107269112
3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
CID 71977840
[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
CID 113294054
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-7H-purin-6-amine
CID 47984102
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
8-bromo-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinolin-4-amine
CID 133284015
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
CID 133491700

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine (CID 94032387) is N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine is c1nc(NC[C@]2(N3CCOCC3)CCSC2)c2[nH]cnc2n1.
What is the InChIKey of N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine?
The InChIKey is GOKVBFHSKUPHJA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-6-22-8-14(1,20-2-4-21-5-3-20)7-15-12-11-13(17-9-16-11)19-10-18-12/h9-10H,1-8H2,(H2,15,16,17,18,19)/t14-/m1/s1.
What are the key properties of N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine?
N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine has a molecular weight of 320.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 94032387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).