N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine

C12H19N3O — CID 105477904

IUPACN-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine
SMILESCNCCCc1nc(C)c2c(n1)CCOC2
InChIInChI=1S/C12H19N3O/c1-9-10-8-16-7-5-11(10)15-12(14-9)4-3-6-13-2/h13H,3-8H2,1-2H3
InChIKeyAFSIDRJCXVLJBT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.01
Rot. Bonds4

About N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine

N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine (PubChem CID 105477904) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine
PubChem CID105477904
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine
SMILESCNCCCc1nc(C)c2c(n1)CCOC2
InChIInChI=1S/C12H19N3O/c1-9-10-8-16-7-5-11(10)15-12(14-9)4-3-6-13-2/h13H,3-8H2,1-2H3
InChIKeyAFSIDRJCXVLJBT-UHFFFAOYSA-N
XLogP1.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
CID 105493609
3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine
CID 105499150
3-(4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
CID 105460666
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine
CID 83847331
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472353
2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105479388
1-(4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 106470539
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine (CID 105477904) is N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine is CNCCCc1nc(C)c2c(n1)CCOC2.
What is the InChIKey of N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine?
The InChIKey is AFSIDRJCXVLJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-10-8-16-7-5-11(10)15-12(14-9)4-3-6-13-2/h13H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine?
N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 105477904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).