N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine

C12H19N3O3 — CID 66328979

IUPACN-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2COCCO2)ncn1
InChIInChI=1S/C12H19N3O3/c1-2-3-18-12-6-11(14-9-15-12)13-7-10-8-16-4-5-17-10/h6,9-10H,2-5,7-8H2,1H3,(H,13,14,15)
InChIKeyZFWRKYDTLQKWNV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.09
Rot. Bonds6

About N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine

N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine (PubChem CID 66328979) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine
PubChem CID66328979
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2COCCO2)ncn1
InChIInChI=1S/C12H19N3O3/c1-2-3-18-12-6-11(14-9-15-12)13-7-10-8-16-4-5-17-10/h6,9-10H,2-5,7-8H2,1H3,(H,13,14,15)
InChIKeyZFWRKYDTLQKWNV-UHFFFAOYSA-N
XLogP1.09
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-6-propoxypyrimidin-4-amine
CID 79072413
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine
CID 107389682
N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine
CID 66333015
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66329191
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797541
4-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80797035
4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955282
[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 129490525
N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
CID 106549581
N-[4-(chloromethyl)oxan-4-yl]-6-propoxypyrimidin-4-amine
CID 106300113
[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300157

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine (CID 66328979) is N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NCC2COCCO2)ncn1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The InChIKey is ZFWRKYDTLQKWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-18-12-6-11(14-9-15-12)13-7-10-8-16-4-5-17-10/h6,9-10H,2-5,7-8H2,1H3,(H,13,14,15).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine has a molecular weight of 253.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66328979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).