6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C14H17Cl2N5S — CID 164865848

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESC[C@H](N)Cc1cc2c(NCc3cccs3)nc(Cl)nc2[nH]1.Cl
InChIInChI=1S/C14H16ClN5S.ClH/c1-8(16)5-9-6-11-12(17-7-10-3-2-4-21-10)19-14(15)20-13(11)18-9;/h2-4,6,8H,5,7,16H2,1H3,(H2,17,18,19,20);1H/t8-;/m0./s1
InChIKeyBFDOMYTUXGUGPE-QRPNPIFTSA-N
MW358.30 g/mol
LogP3.60
Rot. Bonds5

About 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 164865848) has the molecular formula C14H17Cl2N5S and a molecular weight of 358.30 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID164865848
Molecular FormulaC14H17Cl2N5S
Molecular Weight358.30 g/mol
Exact Mass357.06
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESC[C@H](N)Cc1cc2c(NCc3cccs3)nc(Cl)nc2[nH]1.Cl
InChIInChI=1S/C14H16ClN5S.ClH/c1-8(16)5-9-6-11-12(17-7-10-3-2-4-21-10)19-14(15)20-13(11)18-9;/h2-4,6,8H,5,7,16H2,1H3,(H2,17,18,19,20);1H/t8-;/m0./s1
InChIKeyBFDOMYTUXGUGPE-QRPNPIFTSA-N
XLogP3.60
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175574716
6-(2-amino-3,3-dimethylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574698
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
CID 171561925
2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171562026
2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91965651
6-[(2R)-2-amino-4,4,4-trifluorobutyl]-2,7-dichloro-5-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114266
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
CID 164865973
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 164865848) is 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is C[C@H](N)Cc1cc2c(NCc3cccs3)nc(Cl)nc2[nH]1.Cl.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is BFDOMYTUXGUGPE-QRPNPIFTSA-N. The full InChI is InChI=1S/C14H16ClN5S.ClH/c1-8(16)5-9-6-11-12(17-7-10-3-2-4-21-10)19-14(15)20-13(11)18-9;/h2-4,6,8H,5,7,16H2,1H3,(H2,17,18,19,20);1H/t8-;/m0./s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 358.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 164865848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).