(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol

C14H24N4O2 — CID 50983764

IUPAC(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCc1cnc(N2C[C@H](OC(C)C)[C@@H](O)C2)nc1N(C)C
InChIInChI=1S/C14H24N4O2/c1-9(2)20-12-8-18(7-11(12)19)14-15-6-10(3)13(16-14)17(4)5/h6,9,11-12,19H,7-8H2,1-5H3/t11-,12-/m0/s1
InChIKeyFQGWCLAFWYRAOY-RYUDHWBXSA-N
MW280.37 g/mol
LogP0.83
Rot. Bonds4

About (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol

(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 50983764) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID50983764
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCc1cnc(N2C[C@H](OC(C)C)[C@@H](O)C2)nc1N(C)C
InChIInChI=1S/C14H24N4O2/c1-9(2)20-12-8-18(7-11(12)19)14-15-6-10(3)13(16-14)17(4)5/h6,9,11-12,19H,7-8H2,1-5H3/t11-,12-/m0/s1
InChIKeyFQGWCLAFWYRAOY-RYUDHWBXSA-N
XLogP0.83
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol (CID 50983764) is (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol is Cc1cnc(N2C[C@H](OC(C)C)[C@@H](O)C2)nc1N(C)C.
What is the InChIKey of (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is FQGWCLAFWYRAOY-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)20-12-8-18(7-11(12)19)14-15-6-10(3)13(16-14)17(4)5/h6,9,11-12,19H,7-8H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 280.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 50983764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).