4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

C18H23N5O — CID 126446856

IUPAC4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCN2CCc3ccccc32)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C18H23N5O/c19-18-21-15(14-6-10-24-12-14)11-17(22-18)20-7-9-23-8-5-13-3-1-2-4-16(13)23/h1-4,11,14H,5-10,12H2,(H3,19,20,21,22)/t14-/m1/s1
InChIKeyHWGADCPRXXSEBL-CQSZACIVSA-N
MW325.42 g/mol
LogP2.04
Rot. Bonds5

About 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126446856) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126446856
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCN2CCc3ccccc32)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C18H23N5O/c19-18-21-15(14-6-10-24-12-14)11-17(22-18)20-7-9-23-8-5-13-3-1-2-4-16(13)23/h1-4,11,14H,5-10,12H2,(H3,19,20,21,22)/t14-/m1/s1
InChIKeyHWGADCPRXXSEBL-CQSZACIVSA-N
XLogP2.04
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423060
4-N-[2-(2-fluorophenoxy)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126424254
2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 126450304
6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566
4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126434940
4-N-(1,3-benzodioxol-5-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125160881
4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 119061126
3-[2-[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethoxy]benzoic acid
CID 118770286
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530
4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126428680

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126446856) is 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is Nc1nc(NCCN2CCc3ccccc32)cc([C@@H]2CCOC2)n1.
What is the InChIKey of 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is HWGADCPRXXSEBL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O/c19-18-21-15(14-6-10-24-12-14)11-17(22-18)20-7-9-23-8-5-13-3-1-2-4-16(13)23/h1-4,11,14H,5-10,12H2,(H3,19,20,21,22)/t14-/m1/s1.
What are the key properties of 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 325.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126446856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).