4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine

C14H23N5O — CID 72867958

IUPAC4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N)n1
InChIInChI=1S/C14H23N5O/c1-8(2)20-13-5-12(17-14(16)18-13)19-6-10(9-3-4-9)11(15)7-19/h5,8-11H,3-4,6-7,15H2,1-2H3,(H2,16,17,18)/t10-,11+/m1/s1
InChIKeyUQRHYKNBPVLNEG-MNOVXSKESA-N
MW277.37 g/mol
LogP1.02
Rot. Bonds4

About 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine

4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 72867958) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
PubChem CID72867958
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N)n1
InChIInChI=1S/C14H23N5O/c1-8(2)20-13-5-12(17-14(16)18-13)19-6-10(9-3-4-9)11(15)7-19/h5,8-11H,3-4,6-7,15H2,1-2H3,(H2,16,17,18)/t10-,11+/m1/s1
InChIKeyUQRHYKNBPVLNEG-MNOVXSKESA-N
XLogP1.02
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine (CID 72867958) is 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N)n1.
What is the InChIKey of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is UQRHYKNBPVLNEG-MNOVXSKESA-N. The full InChI is InChI=1S/C14H23N5O/c1-8(2)20-13-5-12(17-14(16)18-13)19-6-10(9-3-4-9)11(15)7-19/h5,8-11H,3-4,6-7,15H2,1-2H3,(H2,16,17,18)/t10-,11+/m1/s1.
What are the key properties of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 72867958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).