[1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine

C10H13N5O — CID 83837033

IUPAC[1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncc3ncoc3n2)C1
InChIInChI=1S/C10H13N5O/c11-3-7-1-2-15(5-7)10-12-4-8-9(14-10)16-6-13-8/h4,6-7H,1-3,5,11H2
InChIKeyBTTMARBMSMJOON-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.40
Rot. Bonds2

About [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine

[1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine (PubChem CID 83837033) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine
PubChem CID83837033
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncc3ncoc3n2)C1
InChIInChI=1S/C10H13N5O/c11-3-7-1-2-15(5-7)10-12-4-8-9(14-10)16-6-13-8/h4,6-7H,1-3,5,11H2
InChIKeyBTTMARBMSMJOON-UHFFFAOYSA-N
XLogP0.40
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-quinazolin-2-ylazetidin-3-yl)methanamine
CID 114789950
[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278831
[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine
CID 83836541
[1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine
CID 96599592
[1-(5,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
CID 103278789
[1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 83837076
[1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278796
[1-(5-ethyl-4-propylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278793
[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanamine
CID 112709497
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861

Frequently Asked Questions

What is the IUPAC name of [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine (CID 83837033) is [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2ncc3ncoc3n2)C1.
What is the InChIKey of [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is BTTMARBMSMJOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-3-7-1-2-15(5-7)10-12-4-8-9(14-10)16-6-13-8/h4,6-7H,1-3,5,11H2.
What are the key properties of [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine?
[1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83837033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).