N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C14H23N3O2 — CID 126429297

IUPACN-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCOCCCNc1cc([C@H]2CCOC2)nc(C)n1
InChIInChI=1S/C14H23N3O2/c1-3-18-7-4-6-15-14-9-13(16-11(2)17-14)12-5-8-19-10-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyRULQVTLZBIFBQW-LBPRGKRZSA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds7

About N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126429297) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126429297
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCOCCCNc1cc([C@H]2CCOC2)nc(C)n1
InChIInChI=1S/C14H23N3O2/c1-3-18-7-4-6-15-14-9-13(16-11(2)17-14)12-5-8-19-10-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyRULQVTLZBIFBQW-LBPRGKRZSA-N
XLogP2.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126429297) is N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is CCOCCCNc1cc([C@H]2CCOC2)nc(C)n1.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is RULQVTLZBIFBQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-18-7-4-6-15-14-9-13(16-11(2)17-14)12-5-8-19-10-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126429297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).