4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

C16H30N4O3 — CID 44577446

IUPAC4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCC(C)OCCCNc1nc(OCCCN)cc(OC(C)C)n1
InChIInChI=1S/C16H30N4O3/c1-12(2)21-10-6-8-18-16-19-14(22-9-5-7-17)11-15(20-16)23-13(3)4/h11-13H,5-10,17H2,1-4H3,(H,18,19,20)
InChIKeyVTMKPTMIBUQWHQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.22
Rot. Bonds12

About 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (PubChem CID 44577446) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
PubChem CID44577446
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCC(C)OCCCNc1nc(OCCCN)cc(OC(C)C)n1
InChIInChI=1S/C16H30N4O3/c1-12(2)21-10-6-8-18-16-19-14(22-9-5-7-17)11-15(20-16)23-13(3)4/h11-13H,5-10,17H2,1-4H3,(H,18,19,20)
InChIKeyVTMKPTMIBUQWHQ-UHFFFAOYSA-N
XLogP2.22
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethoxypyrimidine
CID 118946
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-(2-methoxyethyl)thiourea
CID 1955478
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123
2,4,6-Triisobutoxy-pyrimidine
CID 25128815
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
2-[4-[6-[2-(Dimethylamino)ethoxy]-2-(2-methoxyethylamino)pyrimidin-4-yl]oxybutyl]guanidine;hydrochloride
CID 44577027

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (CID 44577446) is 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is CC(C)OCCCNc1nc(OCCCN)cc(OC(C)C)n1.
What is the InChIKey of 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The InChIKey is VTMKPTMIBUQWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-12(2)21-10-6-8-18-16-19-14(22-9-5-7-17)11-15(20-16)23-13(3)4/h11-13H,5-10,17H2,1-4H3,(H,18,19,20).
What are the key properties of 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 2.22, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 44577446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).