N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine

C17H23N5O — CID 126452994

IUPACN-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1nc(NCCNc2ncccc2C)cc([C@H]2CCOC2)n1
InChIInChI=1S/C17H23N5O/c1-12-4-3-6-19-17(12)20-8-7-18-16-10-15(21-13(2)22-16)14-5-9-23-11-14/h3-4,6,10,14H,5,7-9,11H2,1-2H3,(H,19,20)(H,18,21,22)/t14-/m0/s1
InChIKeyQUWYBVSGJFSJRM-AWEZNQCLSA-N
MW313.40 g/mol
LogP2.52
Rot. Bonds6

About N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine

N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 126452994) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID126452994
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1nc(NCCNc2ncccc2C)cc([C@H]2CCOC2)n1
InChIInChI=1S/C17H23N5O/c1-12-4-3-6-19-17(12)20-8-7-18-16-10-15(21-13(2)22-16)14-5-9-23-11-14/h3-4,6,10,14H,5,7-9,11H2,1-2H3,(H,19,20)(H,18,21,22)/t14-/m0/s1
InChIKeyQUWYBVSGJFSJRM-AWEZNQCLSA-N
XLogP2.52
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine (CID 126452994) is N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine is Cc1nc(NCCNc2ncccc2C)cc([C@H]2CCOC2)n1.
What is the InChIKey of N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is QUWYBVSGJFSJRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-4-3-6-19-17(12)20-8-7-18-16-10-15(21-13(2)22-16)14-5-9-23-11-14/h3-4,6,10,14H,5,7-9,11H2,1-2H3,(H,19,20)(H,18,21,22)/t14-/m0/s1.
What are the key properties of N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 313.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 126452994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).