6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C17H23Cl2N5O — CID 164865754

About 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 164865754) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
• PubChem CID: 164865754
• Molecular Formula: C17H23Cl2N5O
• Molecular Weight: 384.31 g/mol
• Exact Mass: 383.13
• IUPAC Name: 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
• SMILES: CC[C@H](C)[C@H](N)Cc1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.Cl
• InChI: InChI=1S/C17H22ClN5O.ClH/c1-3-10(2)14(19)8-11-7-13-15(20-9-12-5-4-6-24-12)22-17(18)23-16(13)21-11;/h4-7,10,14H,3,8-9,19H2,1-2H3,(H2,20,21,22,23);1H/t10-,14+;/m0./s1
• InChIKey: ZRPMBFNLYGNNQI-IMVWOWLCSA-N
• XLogP: 4.15
• TPSA: 92.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.31
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The IUPAC name of 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 164865754) is 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

What is the SMILES notation for 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The canonical SMILES for 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is CC[C@H](C)[C@H](N)Cc1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.Cl.

What is the InChIKey of 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

The InChIKey is ZRPMBFNLYGNNQI-IMVWOWLCSA-N. The full InChI is InChI=1S/C17H22ClN5O.ClH/c1-3-10(2)14(19)8-11-7-13-15(20-9-12-5-4-6-24-12)22-17(18)23-16(13)21-11;/h4-7,10,14H,3,8-9,19H2,1-2H3,(H2,20,21,22,23);1H/t10-,14+;/m0./s1.

What are the key properties of 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?

6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 384.31 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 164865754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).