4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

C12H21N5 — CID 53377888

IUPAC4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCN[C@H]1CCN(c2cc(C(C)C)nc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-8(2)10-6-11(16-12(13)15-10)17-5-4-9(7-17)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H2,13,15,16)/t9-/m0/s1
InChIKeyMPMKEVCRBCBJMY-VIFPVBQESA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds3

About 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (PubChem CID 53377888) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID53377888
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCN[C@H]1CCN(c2cc(C(C)C)nc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-8(2)10-6-11(16-12(13)15-10)17-5-4-9(7-17)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H2,13,15,16)/t9-/m0/s1
InChIKeyMPMKEVCRBCBJMY-VIFPVBQESA-N
XLogP0.98
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (CID 53377888) is 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine is CN[C@H]1CCN(c2cc(C(C)C)nc(N)n2)C1.
What is the InChIKey of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is MPMKEVCRBCBJMY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N5/c1-8(2)10-6-11(16-12(13)15-10)17-5-4-9(7-17)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H2,13,15,16)/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 53377888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).