6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine

C16H27N5O — CID 119071473

IUPAC6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCCCN2CCCC2)cc(C2CCOC2)n1
InChIInChI=1S/C16H27N5O/c17-16-19-14(13-5-10-22-12-13)11-15(20-16)18-6-1-2-7-21-8-3-4-9-21/h11,13H,1-10,12H2,(H3,17,18,19,20)
InChIKeyWQZVGLQIYXRZLH-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.85
Rot. Bonds7

About 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine

6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine (PubChem CID 119071473) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine
PubChem CID119071473
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCCCN2CCCC2)cc(C2CCOC2)n1
InChIInChI=1S/C16H27N5O/c17-16-19-14(13-5-10-22-12-13)11-15(20-16)18-6-1-2-7-21-8-3-4-9-21/h11,13H,1-10,12H2,(H3,17,18,19,20)
InChIKeyWQZVGLQIYXRZLH-UHFFFAOYSA-N
XLogP1.85
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.85
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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Related Compounds

N-ethyl-2-methyl-6-piperidin-4-yl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrimidin-4-amine
CID 56704383
6-cyclopropyl-2-N,4-N-bis[3-(oxolan-3-yloxy)propyl]pyrimidine-2,4-diamine
CID 86819826
4,4-Difluoro-1-({[2-methyl-6-(tetrahydrofuran-3-yl)pyrimidin-4-yl]amino}methyl)cyclohexanol
CID 118774207
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125160795
N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 125168732
4-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125169706
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125169943
2-[cyclohexyl-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
CID 125171876
4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125173044
2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125174079
N'-methyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 125177377
4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 126424927

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine (CID 119071473) is 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine is Nc1nc(NCCCCN2CCCC2)cc(C2CCOC2)n1.
What is the InChIKey of 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
The InChIKey is WQZVGLQIYXRZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c17-16-19-14(13-5-10-22-12-13)11-15(20-16)18-6-1-2-7-21-8-3-4-9-21/h11,13H,1-10,12H2,(H3,17,18,19,20).
What are the key properties of 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine has a molecular weight of 305.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-yl)-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 119071473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).