N-(pyrimidin-4-ylmethyl)oxan-3-amine

C10H15N3O — CID 63360348

IUPACN-(pyrimidin-4-ylmethyl)oxan-3-amine
SMILESc1cc(CNC2CCCOC2)ncn1
InChIInChI=1S/C10H15N3O/c1-2-10(7-14-5-1)12-6-9-3-4-11-8-13-9/h3-4,8,10,12H,1-2,5-7H2
InChIKeyCQDNQRSZYYHMLY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.75
Rot. Bonds3

About N-(pyrimidin-4-ylmethyl)oxan-3-amine

N-(pyrimidin-4-ylmethyl)oxan-3-amine (PubChem CID 63360348) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)oxan-3-amine
PubChem CID63360348
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(pyrimidin-4-ylmethyl)oxan-3-amine
SMILESc1cc(CNC2CCCOC2)ncn1
InChIInChI=1S/C10H15N3O/c1-2-10(7-14-5-1)12-6-9-3-4-11-8-13-9/h3-4,8,10,12H,1-2,5-7H2
InChIKeyCQDNQRSZYYHMLY-UHFFFAOYSA-N
XLogP0.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748187
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
3,3-dimethyl-N-(pyrimidin-4-ylmethyl)cyclobutan-1-amine
CID 131092034
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62747106
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
3-(pyrimidin-4-ylmethylamino)cyclohexane-1-carboxylic acid
CID 65066829
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
1,1-dioxo-N-(pyrimidin-4-ylmethyl)thiolan-3-amine
CID 62760025
N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
CID 115616389

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)oxan-3-amine?
The IUPAC name of N-(pyrimidin-4-ylmethyl)oxan-3-amine (CID 63360348) is N-(pyrimidin-4-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)oxan-3-amine?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)oxan-3-amine is c1cc(CNC2CCCOC2)ncn1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)oxan-3-amine?
The InChIKey is CQDNQRSZYYHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-10(7-14-5-1)12-6-9-3-4-11-8-13-9/h3-4,8,10,12H,1-2,5-7H2.
What are the key properties of N-(pyrimidin-4-ylmethyl)oxan-3-amine?
N-(pyrimidin-4-ylmethyl)oxan-3-amine has a molecular weight of 193.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)oxan-3-amine is sourced from PubChem (CID 63360348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).