4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine

C10H17N5O4S — CID 142698719

IUPAC4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine
SMILESNS(=O)(=O)NC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17N5O4S/c11-20(18,19)14-4-6-3-7(10(17)9(6)16)15-8-1-2-12-5-13-8/h1-2,5-7,9-10,14,16-17H,3-4H2,(H2,11,18,19)(H,12,13,15)/t6-,7-,9-,10+/m1/s1
InChIKeyGUKHTYPFUXYEMR-ZXZZCXTASA-N
MW303.34 g/mol
LogP-2.21
Rot. Bonds5

About 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine

4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine (PubChem CID 142698719) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine.

Molecular Properties

Compound Name4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine
PubChem CID142698719
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine
SMILESNS(=O)(=O)NC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17N5O4S/c11-20(18,19)14-4-6-3-7(10(17)9(6)16)15-8-1-2-12-5-13-8/h1-2,5-7,9-10,14,16-17H,3-4H2,(H2,11,18,19)(H,12,13,15)/t6-,7-,9-,10+/m1/s1
InChIKeyGUKHTYPFUXYEMR-ZXZZCXTASA-N
XLogP-2.21
TPSA150.46 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine?
The IUPAC name of 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine (CID 142698719) is 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine.
What is the SMILES notation for 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine?
The canonical SMILES for 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine is NS(=O)(=O)NC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O.
What is the InChIKey of 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine?
The InChIKey is GUKHTYPFUXYEMR-ZXZZCXTASA-N. The full InChI is InChI=1S/C10H17N5O4S/c11-20(18,19)14-4-6-3-7(10(17)9(6)16)15-8-1-2-12-5-13-8/h1-2,5-7,9-10,14,16-17H,3-4H2,(H2,11,18,19)(H,12,13,15)/t6-,7-,9-,10+/m1/s1.
What are the key properties of 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine?
4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine has a molecular weight of 303.34 g/mol, XLogP of -2.21, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]amino]pyrimidine is sourced from PubChem (CID 142698719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).