4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C10H16ClN5 — CID 118720434

IUPAC4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1
InChIInChI=1S/C10H16ClN5/c1-13-7-2-3-16(6-7)9-4-8(5-11)14-10(12)15-9/h4,7,13H,2-3,5-6H2,1H3,(H2,12,14,15)/t7-/m1/s1
InChIKeySUPRSYZGGWQBDA-SSDOTTSWSA-N
MW241.73 g/mol
LogP0.60
Rot. Bonds3

About 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 118720434) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID118720434
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1
InChIInChI=1S/C10H16ClN5/c1-13-7-2-3-16(6-7)9-4-8(5-11)14-10(12)15-9/h4,7,13H,2-3,5-6H2,1H3,(H2,12,14,15)/t7-/m1/s1
InChIKeySUPRSYZGGWQBDA-SSDOTTSWSA-N
XLogP0.60
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 118720434) is 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1.
What is the InChIKey of 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is SUPRSYZGGWQBDA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-13-7-2-3-16(6-7)9-4-8(5-11)14-10(12)15-9/h4,7,13H,2-3,5-6H2,1H3,(H2,12,14,15)/t7-/m1/s1.
What are the key properties of 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 241.73 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 118720434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).