4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C11H19N5 — CID 127050018

IUPAC4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@H]1CCN(c2nc(N)nc(C)c2C)C1
InChIInChI=1S/C11H19N5/c1-7-8(2)14-11(12)15-10(7)16-5-4-9(6-16)13-3/h9,13H,4-6H2,1-3H3,(H2,12,14,15)/t9-/m0/s1
InChIKeyHPSGKSCELIIDOB-VIFPVBQESA-N
MW221.31 g/mol
LogP0.47
Rot. Bonds2

About 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 127050018) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID127050018
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@H]1CCN(c2nc(N)nc(C)c2C)C1
InChIInChI=1S/C11H19N5/c1-7-8(2)14-11(12)15-10(7)16-5-4-9(6-16)13-3/h9,13H,4-6H2,1-3H3,(H2,12,14,15)/t9-/m0/s1
InChIKeyHPSGKSCELIIDOB-VIFPVBQESA-N
XLogP0.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994950
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59777309
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
4-(fluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720435
5-Iodo-6-methyl-n4-pentylpyrimidine-2,4-diamine
CID 68417258
4-N-butyl-5-iodo-6-methylpyrimidine-2,4-diamine
CID 134106001
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
4-N-butyl-6-methyl-5-(3-piperidin-1-ylprop-1-ynyl)pyrimidine-2,4-diamine
CID 135271013
4-N-butyl-6-methyl-5-pent-1-ynylpyrimidine-2,4-diamine
CID 135271020
4-N-butyl-5-ethynyl-6-methylpyrimidine-2,4-diamine
CID 135271027

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 127050018) is 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@H]1CCN(c2nc(N)nc(C)c2C)C1.
What is the InChIKey of 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is HPSGKSCELIIDOB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N5/c1-7-8(2)14-11(12)15-10(7)16-5-4-9(6-16)13-3/h9,13H,4-6H2,1-3H3,(H2,12,14,15)/t9-/m0/s1.
What are the key properties of 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 127050018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).