N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine

C9H12N6 — CID 140997133

IUPACN-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
SMILESc1nc(N[C@H]2CCNC2)c2[nH]cnc2n1
InChIInChI=1S/C9H12N6/c1-2-10-3-6(1)15-9-7-8(12-4-11-7)13-5-14-9/h4-6,10H,1-3H2,(H2,11,12,13,14,15)/t6-/m0/s1
InChIKeyLUCBOLOHLRBDRN-LURJTMIESA-N
MW204.24 g/mol
LogP0.13
Rot. Bonds2

About N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine

N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine (PubChem CID 140997133) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
PubChem CID140997133
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
SMILESc1nc(N[C@H]2CCNC2)c2[nH]cnc2n1
InChIInChI=1S/C9H12N6/c1-2-10-3-6(1)15-9-7-8(12-4-11-7)13-5-14-9/h4-6,10H,1-3H2,(H2,11,12,13,14,15)/t6-/m0/s1
InChIKeyLUCBOLOHLRBDRN-LURJTMIESA-N
XLogP0.13
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310
N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
CID 133320076
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299
6-pyrrolidin-3-yl-7H-purine
CID 82404474
2-(7H-purin-6-ylamino)cyclohexane-1-thiol
CID 518195
N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
CID 47406251
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
1-[3-(7H-purin-6-ylamino)pyrrolidin-1-yl]propan-1-one
CID 133366498
(3S)-3-(7H-purin-6-ylamino)azepan-2-one
CID 95288271

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine (CID 140997133) is N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine is c1nc(N[C@H]2CCNC2)c2[nH]cnc2n1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine?
The InChIKey is LUCBOLOHLRBDRN-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N6/c1-2-10-3-6(1)15-9-7-8(12-4-11-7)13-5-14-9/h4-6,10H,1-3H2,(H2,11,12,13,14,15)/t6-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine?
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine has a molecular weight of 204.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine is sourced from PubChem (CID 140997133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).