2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C16H25N3O — CID 65328554

IUPAC2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCO2)nc2c1CCCCC2
InChIInChI=1S/C16H25N3O/c1-2-10-17-15-12-7-4-3-5-8-13(12)18-16(19-15)14-9-6-11-20-14/h14H,2-11H2,1H3,(H,17,18,19)
InChIKeyIDWHALBNUBGFBN-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.42
Rot. Bonds4

About 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 65328554) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID65328554
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCO2)nc2c1CCCCC2
InChIInChI=1S/C16H25N3O/c1-2-10-17-15-12-7-4-3-5-8-13(12)18-16(19-15)14-9-6-11-20-14/h14H,2-11H2,1H3,(H,17,18,19)
InChIKeyIDWHALBNUBGFBN-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472619
2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82840279
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512
2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
2-(2-methylcyclopropyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65421960
N-ethyl-2-(1,4-oxathian-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 79970389
2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115337222
2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115388521
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65330592
4-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72940735
2-(oxolan-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103987783

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 65328554) is 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCCNc1nc(C2CCCO2)nc2c1CCCCC2.
What is the InChIKey of 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is IDWHALBNUBGFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-10-17-15-12-7-4-3-5-8-13(12)18-16(19-15)14-9-6-11-20-14/h14H,2-11H2,1H3,(H,17,18,19).
What are the key properties of 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 65328554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).